| Phytochemical Name : Cyperolone |
| PCNDIDC0326 |
| Pubchem CID : 5316283 |
| Molecular formula: C15H24O2 |
| Canonical SMILES : CC(=C)C1CCC2(CCC(C2(C1)C(=O)C)O)C |
Synonymes : Cyperolone|13741-46-3|SCHEMBL19419895|CHEBI:80814|DTXSID90415700|1-[(3S,3aR,5R,7aS)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone|C16946|Q27149856|Ethanone, 1-[octahydro-3-hydroxy-7a-methyl-5-(1-methylethenyl)-3aH-inden-3a-yl]-, [3S-(3.alpha.,3a.alpha.,5.alpha.,7a.alpha.)]-|Ketone, methyl tetrahydro-3.alpha.-hydroxy-5.alpha.-isopropenyl-7a.alpha.-methyl-3a.alpha.(4H)-indanyl, ()- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.740 |
| Log Po/w (XLOGP3) : 1.310 |
| Log Po/w (WLOGP) : 0.380 |
| Log Po/w (MLOGP) : -2.220 |
| Log Po/w (SILICOS-IT) : 1.130 |
| Consensus Log Po/w : 0.870 |