BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1023
Name1-Demethyl-1-acetylcolchicine
Pubchem ID329990
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight427.45
Exact mass427.163102
Molecular formulaC23H25NO7
XlogP0.8
Topological Polar Surface Area100
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count6
IUPAC Name[(7S)-7-acetamido-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-1-yl] acetate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC(=O)C)OC)OC
Isomeric SMILECC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC(=O)C)OC)OC
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