| Phytochemical Name : Chamissonin diacetate |
| PCNDIDC0097 |
| Pubchem CID : 5281433 |
| Molecular formula: C19H24O6 |
| Canonical SMILES : CC1=CCC(C(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C)C)OC(=O)C |
Synonymes : Chamissonin diacetate|CHEBI:3575|24112-95-6|Chammissonin diacetate|CHEMBL250348|C09356|5-18-03-00105 (Beilstein Handbook Reference)|DTXSID501105018|[(3aR,4R,5E,7R,9E,11aS)-4-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-7-yl] acetate|Q27106139|(3aR,4R,5E,7R,9E,11aS)-4,7-Bis(acetyloxy)-3a,4,7,8,11,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.780 |
| Log Po/w (XLOGP3) : 1.900 |
| Log Po/w (WLOGP) : 2.630 |
| Log Po/w (MLOGP) : 2.300 |
| Log Po/w (SILICOS-IT) : 2.370 |
| Consensus Log Po/w : 2.400 |