BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

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. 2 of 2

ID	1872
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera raddeana
Type	Natural
Function	Anti-inflammatory
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