Record No. 1 of 9

ID1350
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourceCoptis japonica
TypeNatural
FunctionAntiparasitic
Drug Like PropertiesYes
Molecular Weight336.36
Exact mass336.123583
Molecular formulaC20H18NO4+
XlogP3.6
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 2 of 9

ID1402
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourceCoptis japonica
TypeNatural
FunctionAntifungal
Drug Like PropertiesYes
Molecular Weight336.36
Exact mass336.123583
Molecular formulaC20H18NO4+
XlogP3.6
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 9

ID1454
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourceCoptis japonica
TypeNatural
FunctionAntidiarrheal
Drug Like PropertiesYes
Molecular Weight336.36
Exact mass336.123583
Molecular formulaC20H18NO4+
XlogP3.6
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 4 of 9

ID1934
NameCoptisine
Pubchem ID72322
KEGG IDN/A
SourceCoptis japonica
TypeNatural
FunctionAntispasmodic
Drug Like PropertiesYes
Molecular Weight320.32
Exact mass320.092283
Molecular formulaC19H14NO4+
XlogP3.5
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 5 of 9

ID2480
NameJatrorrhizine
Pubchem ID72323
KEGG IDC09553
SourceCoptis japonica
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. Yoneda,Shoyakugaku Zasshi,44,(1990),196
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 9

ID3132
NameSanguinarine
Pubchem ID5154
KEGG IDC06162
SourceCoptis japonica
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesYes
Molecular Weight332.33
Exact mass332.092283
Molecular formulaC20H14NO4+
XlogP4.4
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILEN/A
Drugpediawiki
References1. Yoneda,Shoyakugaku Zasshi,44,(1990),196
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 9

ID3146
NameSanguinarine
Pubchem ID5154
KEGG IDC06162
SourceCoptis japonica
TypeNatural
FunctionGlutamate decarboxylase inhibitor
Drug Like PropertiesYes
Molecular Weight332.33
Exact mass332.092283
Molecular formulaC20H14NO4+
XlogP4.4
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILEN/A
Drugpediawiki
References1. Yoneda,Shoyakugaku Zasshi,44,(1990),196
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 9

ID3160
NameSanguinarine
Pubchem ID5154
KEGG IDC06162
SourceCoptis japonica
TypeNatural
FunctionAntibacterial
Drug Like PropertiesYes
Molecular Weight332.33
Exact mass332.092283
Molecular formulaC20H14NO4+
XlogP4.4
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILEN/A
Drugpediawiki
References1. Yoneda,Shoyakugaku Zasshi,44,(1990),196
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 9 of 9

ID3174
NameSanguinarine
Pubchem ID5154
KEGG IDC06162
SourceCoptis japonica
TypeNatural
FunctionCytotoxic
Drug Like PropertiesYes
Molecular Weight332.33
Exact mass332.092283
Molecular formulaC20H14NO4+
XlogP4.4
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILEN/A
Drugpediawiki
References1. Yoneda,Shoyakugaku Zasshi,44,(1990),196
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records