| Phytochemical Name : 4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one |
| PCNDIDOT0856 |
| Pubchem CID : 440244 |
| Molecular formula: C13H20O3 |
| Canonical SMILES : CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
Synonymes : Vomifoliol|Corchoionol C|DTXSID10865102|4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one|B0005-175684|4-HYDROXY-4-(3-HYDROXYBUT-1-EN-1-YL)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.230 |
| Log Po/w (XLOGP3) : 0.550 |
| Log Po/w (WLOGP) : 1.600 |
| Log Po/w (MLOGP) : 1.140 |
| Log Po/w (SILICOS-IT) : 2.310 |
| Consensus Log Po/w : 1.570 |