BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1051
Name4H-Palmatine N-oxide
Pubchem ID371204
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP2.7
Topological Polar Surface Area60
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name2,3,9,10-tetramethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)[O-])OC)OC)C=C1)OC
Isomeric SMILEN/A
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