Record No. 1 of 3

ID2913
NamePapaveroline
Pubchem ID68457
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeurotoxin
Drug Like PropertiesYes
Molecular Weight283.28
Exact mass283.084458
Molecular formulaC16H13NO4
XlogP1.6
Topological Polar Surface Area89.8
H-Bond Donor4
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2H-isoquinolin-6-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC(=C(C=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 2 of 3

ID3113
NameSalsoline
Pubchem ID442356
KEGG IDC09640
SourceSalsola richteri
TypeNatural
FunctionNeurotoxin
Drug Like PropertiesYes
Molecular Weight193.24
Exact mass193.110279
Molecular formulaC11H15NO2
XlogP1.3
Topological Polar Surface Area41.5
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count1
IUPAC Name(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1C2=CC(=C(C=C2CCN1)O)OC
Isomeric SMILEC[C@H]1C2=CC(=C(C=C2CCN1)O)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 3 of 3

ID3114
NameSalsoline
Pubchem ID442356
KEGG IDC09640
SourceMonomethylated metabolite of salsolinol
TypeUnknown
FunctionNeurotoxin
Drug Like PropertiesYes
Molecular Weight193.24
Exact mass193.110279
Molecular formulaC11H15NO2
XlogP1.3
Topological Polar Surface Area41.5
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count1
IUPAC Name(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1C2=CC(=C(C=C2CCN1)O)OC
Isomeric SMILEC[C@H]1C2=CC(=C(C=C2CCN1)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records