Record No. 1 of 5

ID1163
NameAnolobine
Pubchem ID164710
KEGG IDC09338
SourceAnomianthus dulcis
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. Sinz,Biochem.Syst.Ecol.,28,(1998),139
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 5

ID1681
NameCapaurine
Pubchem ID94149
KEGG IDC09371
SourceAnomianthus dulcis
TypeNatural
FunctionUterine stimulant
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP2.9
Topological Polar Surface Area60.4
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count4
IUPAC Name(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Isomeric SMILECOC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Drugpediawiki
References1. Sinz,Biochem.Syst.Ecol.,28,(1998),139
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 5

ID2418
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceAnomianthus dulcis
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. Sinz,Biochem.Syst.Ecol.,28,(1998),139
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 5

ID2954
NamePronuciferine
Pubchem ID200480
KEGG IDC09611
SourceAnomianthus dulcis
TypeNatural
FunctionAnaesthetic
Drug Like PropertiesYes
Molecular Weight311.37
Exact mass311.152144
Molecular formulaC19H21NO3
XlogP2.5
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC
Drugpediawiki
References1. Sinz,Biochem.Syst.Ecol.,28,(1998),139
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 5

ID3048
NameReticuline
Pubchem ID10233
KEGG IDC12328
SourceAnomianthus dulcis
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. Sinz,Biochem.Syst.Ecol.,28,(1998),139
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records