BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2164
NameFluorocolchicine
Pubchem ID33354
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight417.43
Exact mass417.158766
Molecular formulaC22H24FNO6
XlogP1.4
Topological Polar Surface Area83.1
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count6
IUPAC Name2-fluoro-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 SMILECOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CF
Isomeric SMILECOC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CF
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