BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2149
NameEthoxycarbonyl cochicine
Pubchem ID634448
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight415.44
Exact mass415.163102
Molecular formulaC22H25NO7
XlogP1.3
Topological Polar Surface Area103
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count6
IUPAC NameethylN-(2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)carbamate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
Isomeric SMILEN/A
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