BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1733
NameCepharanthine
Pubchem ID10206
KEGG IDD01035
SourceStephania cepharantha
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesNo
Molecular Weight606.71
Exact mass606.272987
Molecular formulaC37H38N2O6
XlogP6.5
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
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