Record No. 1 of 6

ID1575
NameBoldine
Pubchem ID10154
KEGG IDC09365
SourceSarcocapnos baetica
TypeNatural
FunctionCholeretics
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.7
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)OC)O
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpediawiki
References1. Lopez,Phytochem.,30,(1991),1175
2. Castedo,An.Quim.Ser.C,51,(1989),48
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 2 of 6

ID1590
NameBoldine
Pubchem ID10154
KEGG IDC09365
SourceSarcocapnos baetica
TypeNatural
Functionlaxative
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.7
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)OC)O
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpediawiki
References1. Lopez,Phytochem.,30,(1991),1175
2. Castedo,An.Quim.Ser.C,51,(1989),48
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 3 of 6

ID1605
NameBoldine
Pubchem ID10154
KEGG IDC09365
SourceSarcocapnos baetica
TypeNatural
FunctionAntioxidant
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.7
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)OC)O
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpediawiki
References1. Lopez,Phytochem.,30,(1991),1175
2. Castedo,An.Quim.Ser.C,51,(1989),48
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 4 of 6

ID2209
NameGlaucine
Pubchem ID16754
KEGG IDC09446
SourceSarcocapnos baetica
TypeNatural
FunctionAntitussive
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.4
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpediawiki
References1. Castedo,An.Quim.Ser.C,51,(1989),48
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 6

ID2238
NameGlaucine
Pubchem ID16754
KEGG IDC09446
SourceSarcocapnos baetica
TypeNatural
FunctionAntioxidant
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.4
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpediawiki
References1. Castedo,An.Quim.Ser.C,51,(1989),48
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 6

ID3027
NameProtopine
Pubchem ID4970
KEGG IDC05189
SourceSarcocapnos baetica
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. Lopez,Phytochem.,30,(1991),1175
2. Castedo,An.Quim.Ser.C,51,(1989),48
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records