| Phytochemical Name : Gaillardin |
| PCNDIDG0001 |
| Pubchem CID : 267247 |
| Molecular formula: C17H22O5 |
| Canonical SMILES : CC1=CC2C(CC3C1C(CC3(C)O)OC(=O)C)C(=C)C(=O)O2 |
Synonymes : GAILLARDIN|14682-46-3|CHEBI:5240|NSC 106394|CHEMBL490386|DTXSID70295941|NSC106394|NSC-106394|[(3aS,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate|C09455|Q27106695 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.240 |
| Log Po/w (XLOGP3) : 1.240 |
| Log Po/w (WLOGP) : 1.750 |
| Log Po/w (MLOGP) : 2.000 |
| Log Po/w (SILICOS-IT) : 1.880 |
| Consensus Log Po/w : 1.820 |