BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2933
NamePhellodendrine chloride
Pubchem ID59818
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight377.86
Exact mass377.139386
Molecular formulaC20H24ClNO4
XlogPN/A
Topological Polar Surface Area58.9
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol chloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]
Isomeric SMILEC[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]
Drugpediawiki
References1. Source  
2. Function  
3. All Records