Record No. 1 of 3

ID1901
NameColumbamine
Pubchem ID72310
KEGG IDC01795
SourceBerberis crataegina
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. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 3

ID2584
NameMagnoflorine
Pubchem ID73337
KEGG IDC09581
SourceBerberis crataegina
TypeNatural
FunctionHypotensive
Drug Like PropertiesYes
Molecular Weight342.41
Exact mass342.170533
Molecular formulaC20H24NO4+
XlogP2.7
Topological Polar Surface Area58.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILEC[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpediawiki
References1. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 3

ID2632
NameMagnoflorine
Pubchem ID73337
KEGG IDC09581
SourceBerberis crataegina
TypeNatural
FunctionAntioxidant
Drug Like PropertiesYes
Molecular Weight342.41
Exact mass342.170533
Molecular formulaC20H24NO4+
XlogP2.7
Topological Polar Surface Area58.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILEC[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpediawiki
References1. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records