Record No. 1 of 8

ID1170
NameAnonaine
Pubchem ID160597
KEGG IDC09339
SourceAnnona reticulata
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 8

ID1178
NameAnonaine
Pubchem ID160597
KEGG IDC09339
SourceAnnona reticulata
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 3 of 8

ID2187
NameGlaucine
Pubchem ID16754
KEGG IDC09446
SourceAnnona reticulata
TypeNatural
FunctionAntitussive
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.4
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpediawiki
References1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 8

ID2216
NameGlaucine
Pubchem ID16754
KEGG IDC09446
SourceAnnona reticulata
TypeNatural
FunctionAntioxidant
Drug Like PropertiesYes
Molecular Weight355.43
Exact mass355.178358
Molecular formulaC21H25NO4
XlogP3.4
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpediawiki
References1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 8

ID2514
NameLiriodenine
Pubchem ID10144
KEGG IDC09567
SourceAnnona reticulata
TypeNatural
FunctionAntifungal
Drug Like PropertiesYes
Molecular Weight275.26
Exact mass275.058243
Molecular formulaC17H9NO3
XlogP3.4
Topological Polar Surface Area48.4
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILEN/A
Drugpediawiki
References1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 8

ID3464
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceAnnona reticulata
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. Chang,Chim.Pharm.J.(Taipei),47,(1995),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 7 of 8

ID3476
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceAnnona reticulata
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. Chang,Chim.Pharm.J.(Taipei),47,(1995),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 8 of 8

ID3488
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceAnnona reticulata
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. Chang,Chim.Pharm.J.(Taipei),47,(1995),483
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records