| Phytochemical Name : (-)-Valeranone |
| PCNDIDOT0031 |
| Pubchem CID : 10198387 |
| Molecular formula: C15H26O |
| Canonical SMILES : CC(C)C1CCC2(CCCC(=O)C2(C1)C)C |
Synonymes : (-)-Valeranone|Jatamansone|5090-54-0|Valeranone, (-)-|Jatamansone, (-)-|(-)-Jatamansone|2918O3S3MS|(4aS,7R,8aR)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one|1(2H)-Naphthalenone, octahydro-7-beta-isopropyl-4a-alpha,8a-alpha-dimethyl-, (-)-|Jatamanson|1(2H)-NAPHTHALENONE, OCTAHYDRO-4A,8A-DIMETHYL-7-(1-METHYLETHYL)-, (4AS-(4A.ALPHA.,7.BETA.,8A.ALPHA.))-|1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, [4aS-(4a.alpha.,7.beta.,8a.alpha.)]-|UNII-2918O3S3MS|LMPR0103310001|Q27254367|(4AS,7R,8AR)-OCTAHYDRO-4A,8A-DIMETHYL-7-(1-METHYLETHYL)-1(2H)-NAPHTHALENONE|1(2H)-NAPHTHALENONE, OCTAHYDRO-4A,8A-DIMETHYL-7-(1-METHYLETHYL)-, (4AS,7R,8AR)-|1(2H)-Naphthalenone, octahydro-7.beta.-isopropyl-4a.alpha.,8a.alpha.-dimethyl-, (-)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.960 |
| Log Po/w (XLOGP3) : 4.430 |
| Log Po/w (WLOGP) : 4.210 |
| Log Po/w (MLOGP) : 3.670 |
| Log Po/w (SILICOS-IT) : 4.220 |
| Consensus Log Po/w : 3.900 |