| Phytochemical Name : Lunasine |
| PCNDIDL0098 |
| Pubchem CID : 20054959 |
| Molecular formula: C17H22NO3+ |
| Canonical SMILES : CC(C)C1CC2=C(C3=C(C(=CC=C3)OC)[N+](=C2O1)C)OC |
Synonymes : LUNASINE|Lunasin|Lunasine [MI]|(-)-Lunasine|Lunasine, (-)-|6901-22-0|UNII-80R70AS7M1|80R70AS7M1|FURO(2,3-b)quinolinium, 2,3-dihydro-4,8-dimethoxy-9-methyl-2-(1-methylethyl)-, (2R)-|(?)-Lunasine|LUNASINE [WHO-DD]|SCHEMBL360077|Q27269171|(2R)-2,3-Dihydro-4,8-dimethoxy-9-methyl-2-(1-methylethyl)furo[2,3-b]quinolinium|(2R)-4,8-dimethoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.730 |
| Log Po/w (XLOGP3) : 4.000 |
| Log Po/w (WLOGP) : 2.640 |
| Log Po/w (MLOGP) : 2.560 |
| Log Po/w (SILICOS-IT) : 3.310 |
| Consensus Log Po/w : 2.650 |