BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2897
NamePapaveraldine
Pubchem ID96932
KEGG IDN/A
SourceDegradation product of papaverine
TypeNatural
FunctionRelaxant
Drug Like PropertiesYes
Molecular Weight353.37
Exact mass353.126323
Molecular formulaC20H19NO5
XlogP3.7
Topological Polar Surface Area66.9
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Name(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Isomeric SMILEN/A
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