Record No. 1 of 6

ID1897
NameColumbamine
Pubchem ID5316017
KEGG IDN/A
SourceEnantia chlorantha
TypeNatural
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight355.38
Exact mass355.141973
Molecular formulaC20H21NO5
XlogPN/A
Topological Polar Surface Area52.8
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count3
IUPAC Name3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-olhydroxide
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.[OH-]
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 2 of 6

ID1898
NameColumbamine
Pubchem ID72310
KEGG IDC01795
SourceEnantia chlorantha
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. 3 of 6

ID2407
NameIsocorypalmine
Pubchem ID440229
KEGG IDC04118
SourceEnantia chlorantha
TypeNatural
FunctionSmooth muscle relaxant
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.9
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC Name(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Drugpediawiki
References1. Samir,Bull.Fac.Sci.Assiut.Univ.,18,(1989),21
2. Jalander,Collect.Czech.Chem.Commun.,55,(1990),2095
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 4 of 6

ID2469
NameJatrorrhizine
Pubchem ID72323
KEGG IDC09553
SourceEnantia chlorantha
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. Moody,Pharm.Pharmacol.Lett.,5,(1995),80
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 6

ID2481
NameJatrorrhizine
Pubchem ID72323
KEGG IDC09553
SourceEnantia chlorantha
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. Moody,Pharm.Pharmacol.Lett.,5,(1995),80
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 6

ID2524
NameLiriodenine
Pubchem ID10144
KEGG IDC09567
SourceEnantia chlorantha
TypeNatural
FunctionAntifungal
Drug Like PropertiesYes
Molecular Weight275.26
Exact mass275.058243
Molecular formulaC17H9NO3
XlogP3.4
Topological Polar Surface Area48.4
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILEN/A
Drugpediawiki
References1. Samir,Bull.Fac.Sci.Assiut.Univ.,18,(1989),21
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records