| Phytochemical Name : Eupatolide |
| PCNDIDE0115 |
| Pubchem CID : 5281460 |
| Molecular formula: C15H20O3 |
| Canonical SMILES : CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2 |
Synonymes : Eupatolide|6750-25-0|CHEBI:4935|(3aR,4R,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one|CHEMBL485296|eupatolid|C09440|SCHEMBL17147747|Germacra-1(10),4,11(13)-trien-12-oic acid, 6.alpha.,8-dihydroxy-, 12,6-lactone|DTXSID201318448|AKOS040761720|(3aR,4R,6E,10E,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one|Q27106567|(3aR,4R,6E,10E,11aR)-4-hydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.340 |
| Log Po/w (XLOGP3) : 1.110 |
| Log Po/w (WLOGP) : 2.520 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 2.340 |
| Consensus Log Po/w : 2.140 |