| Phytochemical Name : 4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene |
| PCNDIDOT0826 |
| Pubchem CID : 288227 |
| Molecular formula: C15H24 |
| Canonical SMILES : CC1CCC=C2C1(CC(CC2)C(=C)C)C |
Synonymes : 4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene|4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene|Oxo-Tremorine|NSC-148969|Valencene 85|(+)-Eremorphilene|4.alpha.,9-octalin|4.beta.H,11-diene|4.beta.H,5.alpha.-Eremophila-1(10),11-diene|3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene #|DTXSID60859879|(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene|Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]-|BBL027924|NSC148969|STL372862|AKOS015955612|VS-08621|CS-0331354|FT-0772964|4beta H,5alpha -Eremophila-1(10),11-diene|68773-84-2|Naphthalene,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.320 |
| Log Po/w (XLOGP3) : 5.240 |
| Log Po/w (WLOGP) : 4.730 |
| Log Po/w (MLOGP) : 4.630 |
| Log Po/w (SILICOS-IT) : 4.140 |
| Consensus Log Po/w : 4.410 |