BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1888
NameColchicine analog
Pubchem ID84075
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight551.58
Exact mass551.215532
Molecular formulaC30H33NO9
XlogP2.6
Topological Polar Surface Area111
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count9
IUPAC Name3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
Isomeric SMILECOC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
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