BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 3

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. 2 of 3

ID	1864
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum autumnale
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

Record No. 3 of 3

ID	2005
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Colchicum autumnale
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records