Record No. 1 of 3

ID1216
NameArmepavine
Pubchem ID442169
KEGG IDC09342
SourceRoemeria refracta
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. Gozler,J.Nat.Prod.,53,(1990),666
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 3

ID1226
NameArmepavine
Pubchem ID442169
KEGG IDC09342
SourceRoemeria refracta
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. Gozler,J.Nat.Prod.,53,(1990),666
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 3

ID1798
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourceRoemeria refracta
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. Gozler,Helv.Chim.Acta,75,(1992),260
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records