| Phytochemical Name : alpha-Elemene |
| PCNDIDA0091 |
| Pubchem CID : 80048 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC(C)C1=CC(=C(C)C)CCC1(C)C=C |
Synonymes : alpha-Elemene|5951-67-7|.alpha.-Elemene|(S)-6-Ethenyl-6-methyl-1-(1-methylethyl)-3-(1-methylethylidene)cyclohexene|UNII-79BY281T5Y|79BY281T5Y|(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene|o-Menth-2-ene, 4-isopropylidene-1-vinyl-|ELEMENE, ALPHA|(+)-.ALPHA.-ELEMENE|1-Isopropyl-6-methyl-3-(1-methylethylidene)-6-vinyl-1-cyclohexene-, (S)-|Q5358809 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.460 |
| Log Po/w (XLOGP3) : 5.000 |
| Log Po/w (WLOGP) : 4.890 |
| Log Po/w (MLOGP) : 4.530 |
| Log Po/w (SILICOS-IT) : 4.590 |
| Consensus Log Po/w : 4.500 |