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 16

ID	1238
Name	Aspirin
Pubchem ID	23724834
KEGG ID	D02154
Source	N/A
Type	Unknown
Function	Antirheumatic
Drug Like Properties	No
Molecular Weight	1328.84
Exact mass	1327.48672
Molecular formula	C₇₁H₇₈ClN₃O₂₀
XlogP	N/A
Topological Polar Surface Area	315
H-Bond Donor	7
H-Bond Acceptor	23
Rotational Bond Count	8
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl
Isomeric SMILE	CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 16

ID	1853
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum autumnale
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 16

ID	1854
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum brachyphyllum
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 16

ID	1855
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum megaphylla
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 16

ID	1856
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum speciosum
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 16

ID	1857
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum turicum
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 16

ID	1858
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Gloriosa superba
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 16

ID	1859
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera kurdica
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 16

ID	1860
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera manissadjianii
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 16

ID	1861
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera raddeana
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 16

ID	1862
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera sobolifera
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 12 of 16

ID	1863
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Sandersonia aurantica
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 13 of 16

ID	3219
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Sinomenium acutum
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
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	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)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 16

ID	3220
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Cocculus laurifolius
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
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	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 15 of 16

ID	3221
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Sinomenium acutum
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
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	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 16 of 16

ID	3222
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Stephania cepharantha
Type	Natural
Function	Antirheumatic
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
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	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Polson,J.Periodontol,68,(1997),119 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records