Record No. 1 of 9

ID1371
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourceThalictrum foetidum
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
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References1. Source  
2. Function  
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Record No. 2 of 9

ID1423
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourceThalictrum foetidum
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
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References1. Source  
2. Function  
3. All Records  
Record No. 3 of 9

ID1475
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourceThalictrum foetidum
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
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References1. Source  
2. Function  
3. All Records  
Record No. 4 of 9

ID2162
NameFetidine
Pubchem ID442233
KEGG IDC09441
SourceThalictrum foetidum
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesNo
Molecular Weight682.80
Exact mass682.325416
Molecular formulaC40H46N2O8
XlogP6.3
Topological Polar Surface Area91.3
H-Bond Donor1
H-Bond Acceptor10
Rotational Bond Count10
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 5 of 9

ID2610
NameMagnoflorine
Pubchem ID73337
KEGG IDC09581
SourceThalictrum foetidum
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. Baser,Planta Med.,56,(1990),337
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 9

ID2658
NameMagnoflorine
Pubchem ID73337
KEGG IDC09581
SourceThalictrum foetidum
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. Baser,Planta Med.,56,(1990),337
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 9

ID3396
NameThalidasine
Pubchem ID159795
KEGG IDC09656
SourceThalictrum foetidum
TypeNatural
FunctionAntimicrobial
Drug Like PropertiesNo
Molecular Weight652.78
Exact mass652.314852
Molecular formulaC39H44N2O7
XlogP6.4
Topological Polar Surface Area71.1
H-Bond Donor0
H-Bond Acceptor9
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpediawiki
References1. Baser,Planta Med.,56,(1990),337
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 9

ID3402
NameThalidasine
Pubchem ID159795
KEGG IDC09656
SourceThalictrum foetidum
TypeNatural
FunctionHypotensive
Drug Like PropertiesNo
Molecular Weight652.78
Exact mass652.314852
Molecular formulaC39H44N2O7
XlogP6.4
Topological Polar Surface Area71.1
H-Bond Donor0
H-Bond Acceptor9
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpediawiki
References1. Baser,Planta Med.,56,(1990),337
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 9 of 9

ID3409
NameThalmidine
Pubchem ID100230
KEGG IDC09590
SourceThalictrum foetidum
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesNo
Molecular Weight622.75
Exact mass622.304287
Molecular formulaC38H42N2O6
XlogP6.7
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Drugpediawiki
References1. Velcheva,Dokl.Bulg.Akad.Nauk.,44,(1991),33
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records