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 28

ID	1150
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus abbreviatus
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpedia	wiki
References	1. Bringmann,Phytochem.,31,(1992),4011 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 28

ID	1151
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus congolensis
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 3 of 28

ID	1152
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus hamatus
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 4 of 28

ID	1153
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus heyneanus
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
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 28

ID	1154
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus qriffithii
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpedia	wiki
References	1. Bringmann,Phytochem.,61,(2002),195 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 28

ID	1155
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus robertsoniorum
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpedia	wiki
References	1. Bringmann,Phytochem.,47,(1998),31 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 28

ID	1156
Name	Ancistrocladine
Pubchem ID	161741
KEGG ID	C09335
Source	Ancistrocladus tanzaniensis
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	407.50
Exact mass	407.209658
Molecular formula	C₂₅H₂₉NO₄
XlogP	5
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILE	C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpedia	wiki
References	1. Bringmann,J.Nat.Prod.,66,(2003),1159 2. Bringmann,J.Nat.Prod.,67,(2004),743 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 8 of 28

ID	1231
Name	Asimilobine-2-O-glucoside
Pubchem ID	158546
KEGG ID	N/A
Source	Stephania pierrei
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	429.46
Exact mass	429.178752
Molecular formula	C₂₃H₂₇NO₇
XlogP	0.8
Topological Polar Surface Area	121
H-Bond Donor	5
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O
Isomeric SMILE	COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 28

ID	1259
Name	Bebeerine
Pubchem ID	12300019
KEGG ID	C09352
Source	Buxus sempervirens
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 10 of 28

ID	1260
Name	Bebeerine
Pubchem ID	12300019
KEGG ID	C09352
Source	Chondrodendron candicans
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 11 of 28

ID	1261
Name	Bebeerine
Pubchem ID	12300019
KEGG ID	C09352
Source	Chondrodendron platyphyllum
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 12 of 28

ID	1262
Name	Bebeerine
Pubchem ID	12300019
KEGG ID	C09352
Source	Chondrodendron tomentosum
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 13 of 28

ID	1263
Name	Bebeerine
Pubchem ID	12300019
KEGG ID	C09352
Source	Cissampelos pareira
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
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 28

ID	1264
Name	Bebeerine
Pubchem ID	12300019
KEGG ID	C09352
Source	Nectandra rodioei
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
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 28

ID	1999
Name	Dehydrocrebanine
Pubchem ID	149600
KEGG ID	N/A
Source	Stephania venosa
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	337.37
Exact mass	337.131408
Molecular formula	C₂₀H₁₉NO₄
XlogP	4.3
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=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 16 of 28

ID	2000
Name	Dehydrocrebanine
Pubchem ID	149600
KEGG ID	N/A
Source	Prismatomeris sessiliflora
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	337.37
Exact mass	337.131408
Molecular formula	C₂₀H₁₉NO₄
XlogP	4.3
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=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 17 of 28

ID	2001
Name	Dehydrocrebanine
Pubchem ID	149600
KEGG ID	N/A
Source	Diospyros montana
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	337.37
Exact mass	337.131408
Molecular formula	C₂₀H₁₉NO₄
XlogP	4.3
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=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 18 of 28

ID	2002
Name	Dehydrocrebanine
Pubchem ID	149600
KEGG ID	N/A
Source	Murraya siamensis
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	337.37
Exact mass	337.131408
Molecular formula	C₂₀H₁₉NO₄
XlogP	4.3
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=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 19 of 28

ID	2003
Name	Dehydrostephanine
Pubchem ID	156870
KEGG ID	N/A
Source	Stephania kwangsiensis
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	307.34
Exact mass	307.120843
Molecular formula	C₁₉H₁₇NO₃
XlogP	4.4
Topological Polar Surface Area	30.9
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	CN1CCC2=CC3=C(C4=C5C=CC=C(C5=CC1=C24)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 20 of 28

ID	2156
Name	Fagaridine
Pubchem ID	177893
KEGG ID	C09430
Source	Macleaya cordata
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	334.35
Exact mass	334.107933
Molecular formula	C₂₀H₁₆NO₄+
XlogP	4.3
Topological Polar Surface Area	51.8
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	C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC5=C(C=C42)OCO5
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Tolkachev,Pharm.Chem.J.,33,(1999),86 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 21 of 28

ID	2157
Name	Fagaridine
Pubchem ID	177893
KEGG ID	C09430
Source	Zanthoxylum tessmanii
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	334.35
Exact mass	334.107933
Molecular formula	C₂₀H₁₆NO₄+
XlogP	4.3
Topological Polar Surface Area	51.8
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	C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OC)C=CC4=CC5=C(C=C42)OCO5
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. 22 of 28

ID	2279
Name	Homotrilobin
Pubchem ID	33352
KEGG ID	N/A
Source	Stephania japonica
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	576.68
Exact mass	576.262422
Molecular formula	C₃₆H₃₆N₂O₅
XlogP	6.3
Topological Polar Surface Area	52.6
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	CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 23 of 28

ID	2800
Name	Nordicentrine
Pubchem ID	168363
KEGG ID	N/A
Source	Stephania pierrei
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	325.36
Exact mass	325.131408
Molecular formula	C₁₉H₁₉NO₄
XlogP	2.8
Topological Polar Surface Area	49
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C(=C1)CC3C4=C2C5=C(C=C4CCN3)OCO5)OC
Isomeric SMILE	COC1=C(C=C2C(=C1)C[C@H]3C4=C2C5=C(C=C4CCN3)OCO5)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 24 of 28

ID	2966
Name	Protoberberine
Pubchem ID	114943
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	232.30
Exact mass	232.112624
Molecular formula	C₁₇H₁₄N+
XlogP	3.9
Topological Polar Surface Area	3.9
H-Bond Donor	0
H-Bond Acceptor	0
Rotational Bond Count	0
IUPAC Name	5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1C[N+]2=CC3=CC=CC=C3C=C2C4=CC=CC=C41
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 25 of 28

ID	3406
Name	Thalifaberidine
Pubchem ID	157828
KEGG ID	N/A
Source	Thalictrum faberi
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	668.78
Exact mass	668.309766
Molecular formula	C₃₉H₄₄N₂O₈
XlogP	6
Topological Polar Surface Area	102
H-Bond Donor	2
H-Bond Acceptor	10
Rotational Bond Count	9
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C(C(=C(C3=C2C1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 26 of 28

ID	3432
Name	Tiliacorine
Pubchem ID	442369
KEGG ID	C09667
Source	Tiliacora acuminata
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	576.68
Exact mass	576.262422
Molecular formula	C₃₆H₃₆N₂O₅
XlogP	6.1
Topological Polar Surface Area	63.6
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)C[C@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 27 of 28

ID	3433
Name	Tiliacorine
Pubchem ID	442369
KEGG ID	C09667
Source	Tiliacora racemosa
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	576.68
Exact mass	576.262422
Molecular formula	C₃₆H₃₆N₂O₅
XlogP	6.1
Topological Polar Surface Area	63.6
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)C[C@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 28 of 28

ID	3434
Name	Tiliacorine
Pubchem ID	442369
KEGG ID	C09667
Source	Tiliacora triandra
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	576.68
Exact mass	576.262422
Molecular formula	C₃₆H₃₆N₂O₅
XlogP	6.1
Topological Polar Surface Area	63.6
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)C[C@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records