| Phytochemical Name : Eupahyssopin |
| PCNDIDE0111 |
| Pubchem CID : 5281454 |
| Molecular formula: C20H26O7 |
| Canonical SMILES : CC1=CCCC2(C(O2)C3C(C(C1)OC(=O)C(=CCO)C)C(=C)C(=O)O3)CO |
Synonymes : Eupahyssopin|Eupassopin|CHEBI:4928|57718-77-1|CHEMBL3276960|2-Butenoic acid, 4-hydroxy-2-methyl-, 1a,2,3,6,7,7a,8,9,10a,10b-decahydro-1a-(hydroxymethyl)-5-methyl-8-methylene-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester, [1aS-[1aR*,4E,7S*(E),7aS*,10aR*,10bS*]]-|Q27106558|[(1S,2R,4S,7E,10R,11R)-4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] (E)-4-hydroxy-2-methylbut-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.450 |
| Log Po/w (XLOGP3) : 0.830 |
| Log Po/w (WLOGP) : 1.190 |
| Log Po/w (MLOGP) : 1.000 |
| Log Po/w (SILICOS-IT) : 2.280 |
| Consensus Log Po/w : 1.550 |