BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2745
NameNarcein
Pubchem ID8564
KEGG IDC09591
SourcePapaver somniferum
TypeNatural
FunctionAntitussive
Drug Like PropertiesYes
Molecular Weight445.46
Exact mass445.173667
Molecular formulaC23H27NO8
XlogP0.5
Topological Polar Surface Area104
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count10
IUPAC Name6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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