BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1887
NameColchicine analog
Pubchem ID6451116
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight519.54
Exact mass519.189317
Molecular formulaC29H29NO8
XlogP2.4
Topological Polar Surface Area124
H-Bond Donor3
H-Bond Acceptor8
Rotational Bond Count7
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]prop-2-enamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C=CC4=CC(=C(C=C4)O)O
Isomeric SMILECOC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C=C4)O)O
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