BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2800
NameNordicentrine
Pubchem ID168363
KEGG IDN/A
SourceStephania pierrei
TypeNatural
FunctionAntimalarial
Drug Like PropertiesYes
Molecular Weight325.36
Exact mass325.131408
Molecular formulaC19H19NO4
XlogP2.8
Topological Polar Surface Area49
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(=C1)CC3C4=C2C5=C(C=C4CCN3)OCO5)OC
Isomeric SMILECOC1=C(C=C2C(=C1)C[C@H]3C4=C2C5=C(C=C4CCN3)OCO5)OC
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