Record No. 1 of 5

ID2168
NameFugapavine
Pubchem ID121336
KEGG IDC09588
SourcePapaver albiflorum
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
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  
5. All Records  
Record No. 2 of 5

ID3085
NameRhoeadine
Pubchem ID197775
KEGG IDC09619
SourcePapaver albiflorum
TypeNatural
FunctionCytotoxic
Drug Like PropertiesYes
Molecular Weight383.39
Exact mass383.136887
Molecular formulaC21H21NO6
XlogP2.4
Topological Polar Surface Area58.6
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILECN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
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  
5. All Records  
Record No. 3 of 5

ID3095
NameRhoeadine
Pubchem ID197775
KEGG IDC09619
SourcePapaver albiflorum
TypeNatural
FunctionSedative
Drug Like PropertiesYes
Molecular Weight383.39
Exact mass383.136887
Molecular formulaC21H21NO6
XlogP2.4
Topological Polar Surface Area58.6
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILECN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
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  
5. All Records  
Record No. 4 of 5

ID3246
Name(S)-Scoulerine
Pubchem ID439654
KEGG IDC02106
SourcePapaver albiflorum
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. Source  
2. Function  
3. All Records  
Record No. 5 of 5

ID3414
NameThebaine
Pubchem ID5324289
KEGG IDC06173
SourcePapaver albiflorum
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.,55,(1990),1812
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records