Record No. 1 of 6

ID1214
NameArmepavine
Pubchem ID442169
KEGG IDC09342
SourcePhoebe minutiflora
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP3.4
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count4
IUPAC Name4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpediawiki
References1. Huang,Chin.Pharm.J.(Taipei),49,(1997),217
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 6

ID1224
NameArmepavine
Pubchem ID442169
KEGG IDC09342
SourcePhoebe minutiflora
TypeNatural
FunctionImmunosuppressive
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP3.4
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count4
IUPAC Name4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC
Drugpediawiki
References1. Huang,Chin.Pharm.J.(Taipei),49,(1997),217
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 6

ID1796
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourcePhoebe minutiflora
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. Huang,Chin.Pharm.J.(Taipei),49,(1997),217
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 6

ID2050
NameDL-Laudanine
Pubchem ID442304
KEGG IDC09555
SourcePhoebe minutiflora
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight343.42
Exact mass343.178358
Molecular formulaC20H25NO4
XlogP3.3
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC Name5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
Drugpediawiki
References1. Huang,Chin.Pharm.J.(Taipei),49,(1997),217
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 5 of 6

ID2452
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourcePhoebe minutiflora
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. Huang,Chin.Pharm.J.(Taipei),49,(1997),217
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 6

ID3076
NameReticuline
Pubchem ID10233
KEGG IDC12328
SourcePhoebe minutiflora
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. Huang,Chin.Pharm.J.(Taipei),49,(1997),217
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records