Record No. 1 of 1

ID1679
NameCanadine
Pubchem ID21171
KEGG IDC03329
SourceGoldenseal
TypeNatural
FunctionAntioxidant
Drug Like PropertiesYes
Molecular Weight339.39
Exact mass339.147058
Molecular formulaC20H21NO4
XlogP3.1
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
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