Record No. 1 of 8

ID1789
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourceCocculus laurifolius
TypeNatural
FunctionAnti-HIV
Drug Like PropertiesYes
Molecular Weight285.34
Exact mass285.136493
Molecular formulaC17H19NO3
XlogP2.6
Topological Polar Surface Area61.7
H-Bond Donor3
H-Bond Acceptor4
Rotational Bond Count3
IUPAC Name(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
Isomeric SMILECOC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
Drugpediawiki
References1. Source  
2. Function  
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Record No. 2 of 8

ID2306
NameIsococculidine
Pubchem ID442300
KEGG IDC09546
SourceCocculus laurifolius
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight285.38
Exact mass285.172879
Molecular formulaC18H23NO2
XlogP2.5
Topological Polar Surface Area21.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(CCN2CCC4=C3C=C(C=C4)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
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Record No. 3 of 8

ID2423
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceCocculus laurifolius
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. Tsakadze,Bull.Georgian Acad.Sci.,155,(1997),372
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 8

ID2494
NameLaurifine
Pubchem ID442309
KEGG IDC09565
SourceCocculus laurifolius
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.3
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(CCNCCC3=CC(=C(C=C32)OC)OC)C=C1
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 5 of 8

ID2957
NamePronuciferine
Pubchem ID200480
KEGG IDC09611
SourceCocculus laurifolius
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. Source  
2. Function  
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Record No. 6 of 8

ID3216
NameSinomenine
Pubchem ID5459308
KEGG IDC09643
SourceCocculus laurifolius
TypeNatural
FunctionAntitussive
Drug Like PropertiesYes
Molecular Weight329.39
Exact mass329.162708
Molecular formulaC19H23NO4
XlogP2.2
Topological Polar Surface Area59
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILECN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpediawiki
References1. Source  
2. Function  
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Record No. 7 of 8

ID3220
NameSinomenine
Pubchem ID5459308
KEGG IDC09643
SourceCocculus laurifolius
TypeNatural
FunctionAntirheumatic
Drug Like PropertiesYes
Molecular Weight329.39
Exact mass329.162708
Molecular formulaC19H23NO4
XlogP2.2
Topological Polar Surface Area59
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILECN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpediawiki
References1. Source  
2. Function  
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Record No. 8 of 8

ID3224
NameSinomenine
Pubchem ID5459308
KEGG IDC09643
SourceCocculus laurifolius
TypeNatural
FunctionAntineuralgic
Drug Like PropertiesYes
Molecular Weight329.39
Exact mass329.162708
Molecular formulaC19H23NO4
XlogP2.2
Topological Polar Surface Area59
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILECN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records