| Phytochemical Name : Germacra-1(10),4,11(13)-triene-12,14-dioic acid, 2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate, (E)- |
| PCNDIDG0062 |
| Pubchem CID : 6381428 |
| Molecular formula: C19H20O6 |
| Canonical SMILES : CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2 |
Synonymes : Deoxyelephantopin|NSC 259726|BRN 1662665|Germacra-1(10),4,11(13)-triene-12,14-dioic acid, 2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate, (E)-|29307-03-7|LS-71188 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.300 |
| Log Po/w (XLOGP3) : 2.400 |
| Log Po/w (WLOGP) : 2.160 |
| Log Po/w (MLOGP) : 2.220 |
| Log Po/w (SILICOS-IT) : 2.440 |
| Consensus Log Po/w : 2.310 |