Record No. 1 of 10

ID1131
NameAllocryptopine
Pubchem ID98570
KEGG IDC02134
SourcePapaver pinnatifidum
TypeNatural
FunctionOxytocic agent
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP2.9
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 10

ID1362
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver pinnatifidum
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. 3 of 10

ID1414
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver pinnatifidum
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. 4 of 10

ID1466
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver pinnatifidum
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. 5 of 10

ID2338
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourcePapaver pinnatifidum
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. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 10

ID2385
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourcePapaver pinnatifidum
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. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 10

ID2448
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourcePapaver pinnatifidum
TypeNatural
FunctionInsect feeding inhibitor
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.2
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 10

ID3020
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourcePapaver pinnatifidum
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. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 9 of 10

ID3250
Name(S)-Scoulerine
Pubchem ID439654
KEGG IDC02106
SourcePapaver pinnatifidum
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 10 of 10

ID3419
NameThebaine
Pubchem ID5324289
KEGG IDC06173
SourcePapaver pinnatifidum
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight311.37
Exact mass311.152144
Molecular formulaC19H21NO3
XlogP2.2
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
Isomeric SMILECN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records