| Phytochemical Name : [(4E)-1beta-Hydroxy-1-methyl-7-isopropyl-1,2,3,3aalpha,4,5,6,8abeta-octahydroazulene-4-ylidene]methanesulfonic acid |
| PCNDIDOT0295 |
| Pubchem CID : 10470100 |
| Molecular formula: C15H24O4S |
| Canonical SMILES : CC(C)C1=CC2C(CCC2(C)O)C(=CS(=O)(=O)O)CC1 |
Synonymes : [(4E)-1beta-Hydroxy-1-methyl-7-isopropyl-1,2,3,3aalpha,4,5,6,8abeta-octahydroazulene-4-ylidene]methanesulfonic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.600 |
| Log Po/w (XLOGP3) : 1.080 |
| Log Po/w (WLOGP) : 3.990 |
| Log Po/w (MLOGP) : 2.340 |
| Log Po/w (SILICOS-IT) : 1.550 |
| Consensus Log Po/w : 2.310 |