BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1876
NameColchicine analog
Pubchem ID337012
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight443.49
Exact mass443.194402
Molecular formulaC24H29NO7
XlogP1.3
Topological Polar Surface Area92.3
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count8
IUPAC Name2-ethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILECCOCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
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