| Phytochemical Name : Hispanolone |
| PCNDIDH0044 |
| Pubchem CID : 5458747 |
| Molecular formula: C20H30O3 |
| Canonical SMILES : CC1C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C |
Synonymes : HISPANOLONE|18676-07-8|NSC332876|(3S,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one|CHEMBL2000054|SCHEMBL13446725|DTXSID00420022|AKOS040740267|NSC-332876|(3S,4aS,8aS)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.150 |
| Log Po/w (XLOGP3) : 4.140 |
| Log Po/w (WLOGP) : 4.380 |
| Log Po/w (MLOGP) : 2.800 |
| Log Po/w (SILICOS-IT) : 4.620 |
| Consensus Log Po/w : 3.820 |