Record No. 1 of 1

ID2932
NamePhellodendrine
Pubchem ID3081405
KEGG IDN/A
SourcePhellodendron amurense
TypeNatural
FunctionAntinephritic
Drug Like PropertiesYes
Molecular Weight342.41
Exact mass342.170533
Molecular formulaC20H24NO4+
XlogP2.6
Topological Polar Surface Area58.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC Name(7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC
Isomeric SMILEC[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC
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