Record No. 1 of 8

ID1364
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver rhopalothece
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 8

ID1416
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver rhopalothece
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 8

ID1468
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver rhopalothece
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 8

ID1972
NameCularine
Pubchem ID94150
KEGG IDC09411
SourcePapaver rhopalothece
TypeNatural
FunctionRelaxant
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP3.3
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
Isomeric SMILECN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
Drugpediawiki
References1. Sariyar,Planta Med.,56,(1990),232
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 8

ID2340
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourcePapaver rhopalothece
TypeNatural
FunctionCalcium channel blocker
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Sariyar,Planta Med.,56,(1990),232
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 8

ID2387
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourcePapaver rhopalothece
TypeNatural
FunctionSedative
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Sariyar,Planta Med.,56,(1990),232
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 8

ID2744
NameNarcein
Pubchem ID8564
KEGG IDC09591
SourcePapaver rhopalothece
TypeNatural
FunctionAntitussive
Drug Like PropertiesYes
Molecular Weight445.46
Exact mass445.173667
Molecular formulaC23H27NO8
XlogP0.5
Topological Polar Surface Area104
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count10
IUPAC Name6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
Isomeric SMILEN/A
Drugpediawiki
References1. Sariyar,Planta Med.,56,(1990),232
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 8

ID3022
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourcePapaver rhopalothece
TypeNatural
FunctionAntibacterial
Drug Like PropertiesYes
Molecular Weight353.37
Exact mass353.126323
Molecular formulaC20H19NO5
XlogP2.8
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Sariyar,Planta Med.,56,(1990),232
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records