Record No. 1 of 1

ID2472
NameJatrorrhizine
Pubchem ID72323
KEGG IDC09553
SourceBerberis cratagina
TypeNatural
FunctionAntifungal
Drug Like PropertiesYes
Molecular Weight338.38
Exact mass338.139233
Molecular formulaC20H20NO4+
XlogP3.4
Topological Polar Surface Area51.8
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count3
IUPAC Name2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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