Record No. 1 of 8

ID1168
NameAnolobine
Pubchem ID164710
KEGG IDC09338
SourceXylopia vieillardi
TypeNatural
FunctionAntimicrobial
Drug Like PropertiesYes
Molecular Weight281.31
Exact mass281.105193
Molecular formulaC17H15NO3
XlogP2.5
Topological Polar Surface Area50.7
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILEC1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Drugpediawiki
References1. Jossang,J.Nat.Prod.,54,(1991),466
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 8

ID2458
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceXylopia vieillardi
TypeNatural
FunctionInsect feeding inhibitor
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)OC)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 8

ID2619
NameMagnoflorine
Pubchem ID73337
KEGG IDC09581
SourceXylopia vieillardi
TypeNatural
FunctionHypotensive
Drug Like PropertiesYes
Molecular Weight342.41
Exact mass342.170533
Molecular formulaC20H24NO4+
XlogP2.7
Topological Polar Surface Area58.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILEC[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpediawiki
References1. Jossang,J.Nat.Prod.,54,(1991),466
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 8

ID2667
NameMagnoflorine
Pubchem ID73337
KEGG IDC09581
SourceXylopia vieillardi
TypeNatural
FunctionAntioxidant
Drug Like PropertiesYes
Molecular Weight342.41
Exact mass342.170533
Molecular formulaC20H24NO4+
XlogP2.7
Topological Polar Surface Area58.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILEC[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpediawiki
References1. Jossang,J.Nat.Prod.,54,(1991),466
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 8

ID3081
NameReticuline
Pubchem ID10233
KEGG IDC12328
SourceXylopia vieillardi
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. Source  
2. Function  
3. All Records  
Record No. 6 of 8

ID3472
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceXylopia vieillardi
TypeNatural
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.8
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILECOC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpediawiki
References1. Jossang,J.Nat.Prod.,54,(1991),466
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 8

ID3484
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceXylopia vieillardi
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.8
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILECOC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpediawiki
References1. Jossang,J.Nat.Prod.,54,(1991),466
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 8

ID3496
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceXylopia vieillardi
TypeNatural
FunctionAntiplatelet
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.8
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILECOC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpediawiki
References1. Jossang,J.Nat.Prod.,54,(1991),466
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records