| Phytochemical Name : 2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)- |
| PCNDIDOT0463 |
| Pubchem CID : 642876 |
| Molecular formula: C10H14O2 |
| Canonical SMILES : CC1CCC2=C(C(=O)OC2C1)C |
Synonymes : Isomintlactone|(+/-)-Isomintlactone|UNII-M282R422LI|M282R422LI|75684-66-1|2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-|2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R-cis)-|(+)-Isomintlactone|DTXSID30226599|Q27283387|(6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.230 |
| Log Po/w (XLOGP3) : 1.910 |
| Log Po/w (WLOGP) : 2.050 |
| Log Po/w (MLOGP) : 2.080 |
| Log Po/w (SILICOS-IT) : 2.330 |
| Consensus Log Po/w : 2.120 |