BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1775
NameCID6330029
Pubchem ID6330029
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight597.68
Exact mass597.281206
Molecular formulaC32H41N2O9+
XlogP0.7
Topological Polar Surface Area130
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count9
IUPAC Name(7-acetamido-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[j]heptalen-11-yl)methyl2,2,5,5-tetramethyl-1-oxopyrrolidin-1-ium-3-carboxylate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C(=O)C=C13)OC)COC(=O)C4CC([N+](=O)C4(C)C)(C)C)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
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