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 18

ID	2569
Name	Lysicamine
Pubchem ID	122691
KEGG ID	N/A
Source	Guatteria amplifolia
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	291.30
Exact mass	291.089543
Molecular formula	C₁₈H₁₃NO₃
XlogP	3.5
Topological Polar Surface Area	48.4
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=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 18

ID	2804
Name	Nornuciferine
Pubchem ID	41169
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	281.35
Exact mass	281.141579
Molecular formula	C₁₈H₁₉NO₂
XlogP	3
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC
Isomeric SMILE	COC1=C(C2=C3[C@H](CC4=CC=CC=C42)NCCC3=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 18

ID	2891
Name	Palmatine
Pubchem ID	19009
KEGG ID	C05315
Source	Berberis
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	352.40
Exact mass	352.154883
Molecular formula	C₂₁H₂₂NO₄+
XlogP	3.7
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 18

ID	2892
Name	Palmatine
Pubchem ID	19009
KEGG ID	C05315
Source	Jateorhiza palmata
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	352.40
Exact mass	352.154883
Molecular formula	C₂₁H₂₂NO₄+
XlogP	3.7
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	4
IUPAC Name	2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)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. 5 of 18

ID	2930
Name	Pessoine
Pubchem ID	181940
KEGG ID	N/A
Source	Annona spinescens
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	313.35
Exact mass	313.131408
Molecular formula	C₁₈H₁₉NO₄
XlogP	2.3
Topological Polar Surface Area	73.2
H-Bond Donor	3
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
Isomeric SMILE	COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 18

ID	3230
Name	Spinosine
Pubchem ID	177294
KEGG ID	N/A
Source	Annona spinescens
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.6
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	(13aS)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Isomeric SMILE	COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 18

ID	3474
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimola
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 8 of 18

ID	3475
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimolia
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 9 of 18

ID	3476
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona reticulata
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 10 of 18

ID	3477
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Desmos longifolia
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 11 of 18

ID	3478
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Fissistigma glaucescens
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 12 of 18

ID	3479
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Talauma gitigensis
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 13 of 18

ID	3480
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia discreta
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 14 of 18

ID	3481
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia papuana
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 15 of 18

ID	3482
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia papus
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Bermejo,Nat.Prod.Lett.,6,(1995),57 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 16 of 18

ID	3483
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia parviflora
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Nishiyama,Phytochem.,67,(2006),2671 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 18

ID	3484
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia vieillardi
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 18 of 18

ID	3485
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Guatteria amplifolia
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Source 2. Function 3. All Records