| Phytochemical Name : Dehydroleucodine |
| PCNDIDD0042 |
| Pubchem CID : 73440 |
| Molecular formula: C15H16O3 |
| Canonical SMILES : CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C |
Synonymes : Dehydroleucodine|Dehydroleucodin|36150-07-9|NSC 180034|CHEMBL441260|Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-6,9-dimethyl-3-methylene-, (3aS-(3aalpha,9aalpha,9bbeta))-|(3aS,9aS,9bS)-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|D0U9QB|SCHEMBL4998391|Dehydroleucodine, >=98% (HPLC)|BDBM50318392|AKOS040762600|NCGC00485131-01|HY-122295|LS-182153|CS-0083475|6,9-Dimethyl-3-methylene-3,3a,4,5,9a,9b-hexahydro-azuleno[4,5-b]furan-2,7-dione|(1S,6S,2R)-9,13-dimethyl-5-methylene-3- oxatricyclo[8.3.0.0^2,6^]trideca-9,12-diene-4,11-dione|(3aS,9aS,9bS)-6,9-Dimethyl-3-methylene-3,3a,4,5,9a,9b-hexahydro-azuleno[4,5-b]furan-2,7-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.560 |
| Log Po/w (XLOGP3) : 3.320 |
| Log Po/w (WLOGP) : 2.890 |
| Log Po/w (MLOGP) : 0.470 |
| Log Po/w (SILICOS-IT) : 3.070 |
| Consensus Log Po/w : 2.460 |