BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1740
NameChlorcolchicine
Pubchem ID33463
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight433.88
Exact mass433.129215
Molecular formulaC22H24ClNO6
XlogP1.7
Topological Polar Surface Area83.1
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Name2-chloro-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 SMILECOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl
Isomeric SMILECOC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl
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