BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1031
Name2-Demethylcolchicine
Pubchem ID23757
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight385.41
Exact mass385.152537
Molecular formulaC21H23NO6
XlogP0.5
Topological Polar Surface Area94.1
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count4
IUPAC NameN-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
Isomeric SMILECC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
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