| Phytochemical Name : 9-acetoxythymol 3-O-tiglate |
| PCNDIDOT1060 |
| Pubchem CID : 11808409 |
| Molecular formula: C17H22O4 |
| Canonical SMILES : CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C(C)COC(=O)C |
Synonymes : 9-acetoxythymol 3-O-tiglate|CHEBI:67428|CHEMBL1795992|Q27135892|[2-(1-acetyloxypropan-2-yl)-5-methylphenyl] (E)-2-methylbut-2-enoate|(E)-2-Methyl-2-butenoic acid 2-[1-(acetoxymethyl)ethyl]-5-methylphenyl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.580 |
| Log Po/w (XLOGP3) : 3.710 |
| Log Po/w (WLOGP) : 3.530 |
| Log Po/w (MLOGP) : 3.320 |
| Log Po/w (SILICOS-IT) : 4.000 |
| Consensus Log Po/w : 3.630 |