BIAdb: A Database for Benzylisoquinoline Alkaloids

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Citation: If you are using this server please cite:- Singla D, Sharma A, Kaur J, Panwar B, and Raghava GPS (2010): BIAdb: A curated database of benzylisoquinoline alkaloids. BMC Pharmacology 10:4.

Record No. 1 of 128

ID	1047
Name	3-methoxysampangine
Pubchem ID	122683
KEGG ID	N/A
Source	Cleistopholis patens
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	262.26
Exact mass	262.074228
Molecular formula	C₁₆H₁₀N₂O₂
XlogP	2.5
Topological Polar Surface Area	52.1
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CN=C2C3=CC=CC=C3C(=O)C4=NC=CC1=C24
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 128

ID	1078
Name	Acetylcorynoline
Pubchem ID	177015
KEGG ID	N/A
Source	Corydalis bungeana
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	409.43
Exact mass	409.152537
Molecular formula	C₂₃H₂₃NO₆
XlogP	3.3
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
Isomeric SMILE	CC(=O)O[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@]1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 128

ID	1325
Name	Berberal
Pubchem ID	9424
KEGG ID	N/A
Source	Hydrastis canadensis
Type	Natural
Function	Antifungal
Drug Like Properties	No
Molecular Weight	768.79
Exact mass	768.198895
Molecular formula	C₄₀H₃₆N₂O₁₂S
XlogP	N/A
Topological Polar Surface Area	162
H-Bond Donor	0
H-Bond Acceptor	12
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 128

ID	1379
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Hydrastis canadensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 128

ID	1380
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberidaceae
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 128

ID	1381
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Acangelisia gusanlung
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 128

ID	1382
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Asteropyrum cavaleriei
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 128

ID	1383
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis aemulans
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 128

ID	1384
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis candidula
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 128

ID	1385
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis croatica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 128

ID	1386
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis densiflora
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 12 of 128

ID	1387
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis heterobotrys
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 13 of 128

ID	1388
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis iliensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 14 of 128

ID	1389
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis integerrima
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 15 of 128

ID	1390
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis numularis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 16 of 128

ID	1391
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis oblonga
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 17 of 128

ID	1392
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis poirettii
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 18 of 128

ID	1393
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis pruinosa
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 19 of 128

ID	1394
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis rigidifolia
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 20 of 128

ID	1395
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis stenophylla
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 21 of 128

ID	1396
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis turcomanica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 22 of 128

ID	1397
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Berberis vulgaris
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 23 of 128

ID	1398
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Chelidonum majus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 24 of 128

ID	1399
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Coptis chinensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 25 of 128

ID	1400
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Coptis deltoides
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 26 of 128

ID	1401
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Coptis gulinensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 27 of 128

ID	1402
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Coptis japonica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 28 of 128

ID	1403
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Coptis omeiensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 29 of 128

ID	1404
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Corydalis intermedia
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 30 of 128

ID	1405
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Corydalis solida
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 31 of 128

ID	1406
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Coscinium fenestratum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 32 of 128

ID	1407
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Eschscholtzia california
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 33 of 128

ID	1408
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Glaucium arabicum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 34 of 128

ID	1409
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Mahonia aquifolium
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 35 of 128

ID	1410
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Mahonia japonica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 36 of 128

ID	1411
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Naravelia zeylandica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 37 of 128

ID	1412
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver albiflora
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 38 of 128

ID	1413
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver confine
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 39 of 128

ID	1414
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver pinnatifidum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 40 of 128

ID	1415
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver rhoeas
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 41 of 128

ID	1416
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver rhopalothece
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 42 of 128

ID	1417
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papver stevenianum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 43 of 128

ID	1418
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Phellodendron amurense
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 44 of 128

ID	1419
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Phellodendron wilsonii
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 45 of 128

ID	1420
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Ranunculus serbicus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 46 of 128

ID	1421
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Stylophorum lasiocarpum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 47 of 128

ID	1422
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum flavum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 48 of 128

ID	1423
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum foetidum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 49 of 128

ID	1424
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum honanense
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 50 of 128

ID	1425
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum minus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 51 of 128

ID	1426
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum orientale
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 52 of 128

ID	1427
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum przewalskii
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 53 of 128

ID	1428
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum purpurescens
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 54 of 128

ID	1429
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Thalictrum wanqii
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 55 of 128

ID	1430
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Xanthorhiza simplicissima
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 56 of 128

ID	1488
Name	Berberine chloride
Pubchem ID	12456
KEGG ID	C12679
Source	Hydrastis canadensis
Type	Natural
Function	Antifungal
Drug Like Properties	No
Molecular Weight	371.81
Exact mass	371.092436
Molecular formula	C₂₀H₁₈ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 57 of 128

ID	1978
Name	Cycleanine
Pubchem ID	121313
KEGG ID	N/A
Source	Stephania epigeae
Type	Natural
Function	Antifungal
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.7
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 58 of 128

ID	2020
Name	Dicentrine
Pubchem ID	101300
KEGG ID	N/A
Source	Cassytha filiformis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 59 of 128

ID	2469
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Enantia chlorantha
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Moody,Pharm.Pharmacol.Lett.,5,(1995),80 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 60 of 128

ID	2470
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Acangelisia gusanlung
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Zhang,Planta Med.,57,(1991),457 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 61 of 128

ID	2471
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis aemulans
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lu,Yaoxue Xuebao,30,(1995),280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 62 of 128

ID	2472
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis cratagina
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 63 of 128

ID	2473
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis heterobotrys
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.(1993),869 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 64 of 128

ID	2474
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis julianae
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Yuan,Tianran Chanwu Yanju Yu Kaifa,4,(1992),1 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 65 of 128

ID	2475
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis poirettii
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lu,Yaoxue Xuebao,30,(1995),280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 66 of 128

ID	2476
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis pruinosa
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lu,Yaoxue Xuebao,30,(1995),280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 67 of 128

ID	2477
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis turcomanica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),77 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 68 of 128

ID	2478
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Berberis vulgaris
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Suau,Phytochem.,49,(1998),2545 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 69 of 128

ID	2479
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Chelidonum majus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Niu,Yaoxye Xuebao,27,(1992),69 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 70 of 128

ID	2480
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Coptis japonica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Yoneda,Shoyakugaku Zasshi,44,(1990),196 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 71 of 128

ID	2481
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Enantia chlorantha
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Moody,Pharm.Pharmacol.Lett.,5,(1995),80 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 72 of 128

ID	2482
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Glaucium arabicum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Al-Khalil,Dirasat.Univ.Jordan B.,17,(1990),185 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 73 of 128

ID	2483
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Jateorhiza palmata
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 74 of 128

ID	2484
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Mahonia aquifolium
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Vollekova,Phytother.Res.,17,(2003),834 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 75 of 128

ID	2485
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Mahonia japonica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Hsieh,J.Chin.Chem.Soc.,51,(2004),443 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 76 of 128

ID	2486
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Thalictrum honanense
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Han,Zhongguo Zhongyao Zazhi,18,(1993),615 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 77 of 128

ID	2487
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Thalictrum minus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,57,(1992),573 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 78 of 128

ID	2488
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Xylopia parviflora
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 79 of 128

ID	2489
Name	Jatrorrhizine
Pubchem ID	72323
KEGG ID	C09553
Source	Zanthoxylum chaylbeum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 80 of 128

ID	2506
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Alphonsea mollis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Xie,Zhongguo Yaoke Daxue Xuebao,20,(1989),321 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 81 of 128

ID	2507
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Anisocycla racemosa
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Kanyinda,Planta Med.,55,(1989),394 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 82 of 128

ID	2508
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona cherimola
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 83 of 128

ID	2509
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona cherimolia
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Simeon,Plant Med.Phytother.,23,(1989),159 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 84 of 128

ID	2510
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona dioica
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Dos,J.Braz.Chem.Soc.,14,(2003),396 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 85 of 128

ID	2511
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona glabra
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chang,J.Chin.Chem.Soc.(Taipei),47,(2000),913 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 86 of 128

ID	2512
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona montana
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Wu,Phytochem.,33,(1993),497 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 87 of 128

ID	2513
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona purpurea
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chang,J.Nat.Prod.,63,(2000),746 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 88 of 128

ID	2514
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona reticulata
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 89 of 128

ID	2515
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona senegalensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. PHilipov,Fitoterapia,66,(1995),275 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 90 of 128

ID	2516
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Artabotrys uncinatus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Wu,Phytochem.,28,(1989),2191 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 91 of 128

ID	2517
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Atrabotrys maingayi
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Cortes,J.Nat.Prod.,53,(1990),503 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 92 of 128

ID	2518
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Cananga odorata
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Yang,Chung-hua Yao Hsueh Tsa Chih.,41,(1989),279 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 93 of 128

ID	2519
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Cardiopetalum calophyllum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Seguineau,Planta Med.,57,(1991),581 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 94 of 128

ID	2520
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Cissampelos sympodialis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Avlves,Fitoterapia,73,(2002),356 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 95 of 128

ID	2521
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Cleistopholis patens
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Liu,Antimicrob.Agents Chemother.,34,(1990),529 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 96 of 128

ID	2522
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Desmos longifolia
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Hossain,Fitoterapia,16,(1995),463 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 97 of 128

ID	2523
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Disepalum pulchrum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lavault,Phytochem.,29,(1990),3845 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 98 of 128

ID	2524
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Enantia chlorantha
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Samir,Bull.Fac.Sci.Assiut.Univ.,18,(1989),21 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 99 of 128

ID	2525
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Fissistigma glaucescens
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chang,J.Chin.Chem.Soc.(Taipei),47,(2000),1251 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 100 of 128

ID	2526
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Goniothalamus amuyon
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lan,Chem.Pharm.Bull.,55,(2006),1040 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 101 of 128

ID	2527
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Goniothalamus scortephanine
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Bin,Int.J.Crude Drugs,27,(1989),92 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 102 of 128

ID	2528
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Goniothalamus topis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Bin,Int.J.Crude Drugs,27,(1989),92 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 103 of 128

ID	2529
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Guatteria oliviformis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lopez,Phytochem.,29,(1990),1899 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 104 of 128

ID	2530
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Illigera luzonensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chen,J.Nat.Prod.,60,(1997),645 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 105 of 128

ID	2531
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Lettowianthus stellatus
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Nkunya,Phytochem.,53,(2000),1067 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 106 of 128

ID	2532
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Liriodendron tulipifera
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 107 of 128

ID	2533
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Magnolia abovata
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Sturua,Bull.Georgian Acad.Sci.,154,(1996),75 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 108 of 128

ID	2534
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Magnolia obovata
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 109 of 128

ID	2535
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Miliusa cuneata
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chen,Nat.Prod.Res.,17,(2003),397 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 110 of 128

ID	2536
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Miliusa velutina
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Jumana,Biochem.Syst.Ecol.,28,(2000),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 111 of 128

ID	2537
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Oncodostigma monosperma
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Bou-Abdallah,J.Nat.Prod.,52,(1989),273 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 112 of 128

ID	2538
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Papaver caucasicum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 113 of 128

ID	2539
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Piptostigma fugax
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Aschenbach,Phytochem.,38,(1994),1037 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 114 of 128

ID	2540
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Polyalthia insignis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lee,Tetrahedron Lett.,38,(1997),1253 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 115 of 128

ID	2541
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Polyalthia longifolia
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Wu,J.Nat.Prod.,53,(1990),1327 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 116 of 128

ID	2542
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Polyalthia macropoda
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lavault,Phytochem.,29,(1990),3845 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 117 of 128

ID	2543
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Polyalthia stenopetala
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lavault,Phytochem.,29,(1990),3845 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 118 of 128

ID	2544
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Siparuna tonduziana
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Lopez,Planta Med.,56,(1990),492 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 119 of 128

ID	2545
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Stephania dinklagei
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Camacho,Planta Med.,66,(2000),478 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 120 of 128

ID	2546
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Talauma gitigensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Nonato,J.Nat.Prod.,53,(1990),1623 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 121 of 128

ID	2547
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Trivalvaria macrophylla
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Cortes,J.Nat.Prod.,53,(1990),862 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 122 of 128

ID	2548
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Xanthorhiza simplicissima
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Wu,Kao-Hsiung I.Hsuek K'o Hsueh Tsa Chih,5,(1989),409 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 123 of 128

ID	2549
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Zanthoxylum caudatum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Nissanka,Phytochem.,56,(2001),857 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 124 of 128

ID	2550
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Zanthoxylum tetraspermum
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 125 of 128

ID	2551
Name	Liriodenine methiodide
Pubchem ID	122772
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antifungal
Drug Like Properties	No
Molecular Weight	417.20
Exact mass	416.986186
Molecular formula	C₁₈H₁₂INO₃
XlogP	N/A
Topological Polar Surface Area	39.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C3=C(C4=CC=CC=C4C2=O)C5=C(C=C3C=C1)OCO5.[I-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 126 of 128

ID	2806
Name	Norsanguinarine
Pubchem ID	97679
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	317.29
Exact mass	317.068808
Molecular formula	C₁₉H₁₁NO₄
XlogP	4.3
Topological Polar Surface Area	49.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=CN=C4C(=C3C=C2)C=CC5=CC6=C(C=C54)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 127 of 128

ID	3190
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Argemone mexicana
Type	Natural
Function	Antifungal
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 128 of 128

ID	3191
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Sanguinaria
Type	Natural
Function	Antifungal
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records