Record No. 1 of 2

ID1704
NameCephaelin
Pubchem ID442195
KEGG IDC09390
SourceDorstenia asaroides
TypeNatural
FunctionAnti-amoebic
Drug Like PropertiesYes
Molecular Weight466.61
Exact mass466.283158
Molecular formulaC28H38N2O4
XlogP4.4
Topological Polar Surface Area63.2
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Name(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpediawiki
References1. Franke,Phytochem.,56,(2001),611
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 2 of 2

ID1719
NameCephaelin
Pubchem ID442195
KEGG IDC09390
SourceDorstenia asaroides
TypeNatural
FunctionProtein synthesis inhibitor
Drug Like PropertiesYes
Molecular Weight466.61
Exact mass466.283158
Molecular formulaC28H38N2O4
XlogP4.4
Topological Polar Surface Area63.2
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Name(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILECC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpediawiki
References1. Franke,Phytochem.,56,(2001),611
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records