Record No. 1 of 3

ID1915
NameColumbamine
Pubchem ID72310
KEGG IDC01795
SourceJateorhiza palmata
TypeNatural
FunctionDopamine Agonist
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 Name3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 2 of 3

ID2483
NameJatrorrhizine
Pubchem ID72323
KEGG IDC09553
SourceJateorhiza palmata
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 3 of 3

ID2892
NamePalmatine
Pubchem ID19009
KEGG IDC05315
SourceJateorhiza palmata
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight352.40
Exact mass352.154883
Molecular formulaC21H22NO4+
XlogP3.7
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count4
IUPAC Name2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records