Record No. 1 of 4

ID2930
NamePessoine
Pubchem ID181940
KEGG IDN/A
SourceAnnona spinescens
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight313.35
Exact mass313.131408
Molecular formulaC18H19NO4
XlogP2.3
Topological Polar Surface Area73.2
H-Bond Donor3
H-Bond Acceptor5
Rotational Bond Count1
IUPAC Name(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
Isomeric SMILECOC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 2 of 4

ID3047
NameReticuline
Pubchem ID10233
KEGG IDC12328
SourceAnnona spinescens
TypeNatural
FunctionDopamine Antagonist
Drug Like PropertiesYes
Molecular Weight329.39
Exact mass329.162708
Molecular formulaC19H23NO4
XlogP3
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Queiroz,J.Nat.Prod.,59,(1996),438
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 4

ID3229
NameSpinosine
Pubchem ID177294
KEGG IDN/A
SourceAnnona spinescens
TypeNatural
FunctionAntitrypanosomal
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)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Isomeric SMILECOC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 4 of 4

ID3230
NameSpinosine
Pubchem ID177294
KEGG IDN/A
SourceAnnona spinescens
TypeNatural
FunctionLeishmanicidal
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)-2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-10,11-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Isomeric SMILECOC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records