| Phytochemical Name : Fetidine |
| PCNDIDF0020 |
| Pubchem CID : 442233 |
| Molecular formula: C40H46N2O8 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC |
Synonymes : Fetidine|7072-86-8|C09441|(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol|AC1L9CGQ|SureCN2989372|CHEBI:5049|SCHEMBL2989372|DTXSID10331776|Q27106629|(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxy-phenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.640 |
| Log Po/w (XLOGP3) : 6.350 |
| Log Po/w (WLOGP) : 5.350 |
| Log Po/w (MLOGP) : 2.790 |
| Log Po/w (SILICOS-IT) : 6.820 |
| Consensus Log Po/w : 5.390 |