BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1891
NameColchicine derivative
Pubchem ID55498
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight429.46
Exact mass429.178752
Molecular formulaC23H27NO7
XlogP1.8
Topological Polar Surface Area92.3
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count7
IUPAC NameethylN-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)carbamate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILEN/A
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