BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1756
NameCID5316854
Pubchem ID5316854
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
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 Name2,3-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9,10-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)O)O)OC)OC
Isomeric SMILEN/A
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