Record No. 1 of 5

ID1175
NameAnonaine
Pubchem ID160597
KEGG IDC09339
SourceXylopia papus
TypeNatural
FunctionAntimicrobial
Drug Like PropertiesYes
Molecular Weight265.31
Exact mass265.110279
Molecular formulaC17H15NO2
XlogP2.8
Topological Polar Surface Area30.5
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILEC1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpediawiki
References1. Bermejo,Nat.Prod.Lett.,6,(1995),57
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 5

ID1183
NameAnonaine
Pubchem ID160597
KEGG IDC09339
SourceXylopia papus
TypeNatural
FunctionSmooth muscle relaxant
Drug Like PropertiesYes
Molecular Weight265.31
Exact mass265.110279
Molecular formulaC17H15NO2
XlogP2.8
Topological Polar Surface Area30.5
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILEC1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpediawiki
References1. Bermejo,Nat.Prod.Lett.,6,(1995),57
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 5

ID3470
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceXylopia papus
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. Bermejo,Nat.Prod.Lett.,6,(1995),57
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 5

ID3482
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceXylopia papus
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. Bermejo,Nat.Prod.Lett.,6,(1995),57
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 5

ID3494
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceXylopia papus
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. Bermejo,Nat.Prod.Lett.,6,(1995),57
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records