BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1880
NameColchicine analog
Pubchem ID356433
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight457.47
Exact mass457.173667
Molecular formulaC24H27NO8
XlogP1.6
Topological Polar Surface Area109
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count8
IUPAC Name(7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-3-yl) ethyl carbonate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)OC)NC(=O)C)OC)OC
Isomeric SMILEN/A
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