Record No. 1 of 4

ID1360
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver albiflora
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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Record No. 2 of 4

ID1412
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver albiflora
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  
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Record No. 3 of 4

ID1464
NameBerberine
Pubchem ID2353
KEGG IDD06817
SourcePapaver albiflora
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  
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Record No. 4 of 4

ID3245
Name(S)-Scoulerine
Pubchem ID439654
KEGG IDC02106
SourcePapaver albiflora
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.,55,(1990),1812
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
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