BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1076
NameAcetoxy cochicine
Pubchem ID634461
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight416.49
Exact mass416.129359
Molecular formulaC22H24O6S
XlogP2.3
Topological Polar Surface Area71.1
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Name(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl) acetate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)OC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
Isomeric SMILEN/A
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