BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2743
NameNantenine
Pubchem ID197001
KEGG IDN/A
SourceNandina domestica
TypeNatural
FunctionHypotensive
Drug Like PropertiesYes
Molecular Weight339.39
Exact mass339.147058
Molecular formulaC20H21NO4
XlogP3.2
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 SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)OC)OC
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