Record No. 1 of 6

ID1609
NameBracteoline
Pubchem ID133322
KEGG IDC09366
SourcePapaver bracteatum
TypeNatural
FunctionSuppress LPS-induced proliferation
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)O)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)O)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 6

ID2459
NameIsothebaine
Pubchem ID11281
KEGG IDC09550
SourcePapaver bracteatum
TypeNatural
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight311.37
Exact mass311.152144
Molecular formulaC19H21NO3
XlogP2.6
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC
Drugpediawiki
References1. Sariyar,Planta Med.,58,(1992),368
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 6

ID2463
NameIsothebaine
Pubchem ID11281
KEGG IDC09550
SourcePapaver bracteatum
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesYes
Molecular Weight311.37
Exact mass311.152144
Molecular formulaC19H21NO3
XlogP2.6
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC
Drugpediawiki
References1. Sariyar,Planta Med.,58,(1992),368
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 6

ID2764
NameNeopine
Pubchem ID101685
KEGG IDN/A
SourcePapaver bracteatum
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight299.36
Exact mass299.152144
Molecular formulaC18H21NO3
XlogP1.6
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C(CC=C2C1CC5=C3C(=C(C=C5)OC)O4)O
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 5 of 6

ID3123
NameSalutaridine
Pubchem ID5408233
KEGG IDC05179
SourcePapaver bracteatum
TypeNatural
FunctionAnticancer
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP1.9
Topological Polar Surface Area59
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILECN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 6 of 6

ID3415
NameThebaine
Pubchem ID5324289
KEGG IDC06173
SourcePapaver bracteatum
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records