BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1851
NameColchicine,2-demethyl-2-acetyl-
Pubchem ID626968
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(7-acetamido-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-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)OC(=O)C)OC
Isomeric SMILEN/A
Drugpediawiki
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