BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1024
Name1-Demethylcolchicine
Pubchem ID629842
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAnti-inflammatory
Drug Like PropertiesYes
Molecular Weight385.41
Exact mass385.152537
Molecular formulaC21H23NO6
XlogP0.7
Topological Polar Surface Area94.1
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count4
IUPAC NameN-(1-hydroxy-2,3,10-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)O)OC)OC
Isomeric SMILEN/A
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