Record No. 1 of 6

ID2513
NameLiriodenine
Pubchem ID10144
KEGG IDC09567
SourceAnnona purpurea
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,J.Nat.Prod.,63,(2000),746
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 6

ID2872
NameOXOAPORPHINE
Pubchem ID326183
KEGG IDN/A
SourceAnnona purpurea
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight231.25
Exact mass231.068414
Molecular formulaC16H9NO
XlogP3.6
Topological Polar Surface Area30
H-Bond Donor0
H-Bond Acceptor2
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC=C2C(=C1)C3=CC=CC4=C3C(=NC=C4)C2=O
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 6

ID2873
NameOxoglaucine
Pubchem ID97662
KEGG IDN/A
SourceAnnona purpurea
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesYes
Molecular Weight351.35
Exact mass351.110673
Molecular formulaC20H17NO5
XlogP3.5
Topological Polar Surface Area66.9
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 4 of 6

ID2876
NameOxopurpureine
Pubchem ID284998
KEGG IDN/A
SourceAnnona purpurea
TypeNatural
FunctionAntiplatelet
Drug Like PropertiesYes
Molecular Weight381.38
Exact mass381.121237
Molecular formulaC21H19NO6
XlogP3.4
Topological Polar Surface Area76.1
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 5 of 6

ID3046
NameReticuline
Pubchem ID10233
KEGG IDC12328
SourceAnnona purpurea
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. Chang,J.Nat.Prod.,63,(2000),746
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 6

ID3390
NameThalicsimidine
Pubchem ID98473
KEGG IDN/A
SourceAnnona purpurea
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight385.45
Exact mass385.188923
Molecular formulaC22H27NO5
XlogP3.3
Topological Polar Surface Area49.4
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=C(C(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records