| Phytochemical Name : Daucene |
| PCNDIDD0016 |
| Pubchem CID : 177773 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1=CCC2(CCC(=C2CC1)C(C)C)C |
Synonymes : Daucene|16661-00-0|Dauca-4,8-diene (Daucene)|Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-|6,8a-dimethyl-3-(propan-2-yl)-1,2,4,5,8,8a-hexahydroazulene|6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene|DTXSID80937224|1,2,4,5,8,8a-Hexahydro-6,8a-dimethyl-3-isopropylazulene|3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene|Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-|Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.890 |
| Log Po/w (XLOGP3) : -0.090 |
| Log Po/w (WLOGP) : -0.720 |
| Log Po/w (MLOGP) : -2.690 |
| Log Po/w (SILICOS-IT) : -1.040 |
| Consensus Log Po/w : -0.530 |