| Phytochemical Name : Parthenicin |
| PCNDIDP0022 |
| Pubchem CID : 257275 |
| Molecular formula: C15H18O4 |
| Canonical SMILES : CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C |
Synonymes : Parthenicin|MLS002694604|NSC85239|SMR001560529|6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione|6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione|NSC-85239|6a-Hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione|cid_257275|CHEMBL1869439|BDBM97034|DTXSID60871713|1,6beta-dihydroxy-4-oxo-10alphaH-ambrosa-2,11(13)-dien-12-oic acid gamma-lactone|(3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione|NCGC00246887-01|NCI60_041873|10.alpha.H-Ambrosa-2, 1,6.beta.-dihydroxy-4-oxo-, .gamma.-lactone|6,9a-dimethyl-3-methylidene-6a-oxidanyl-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione|6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-quinone|6a-Hydroxy-6,9a-dimethyl-3-methylidene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione|Azuleno[4,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.820 |
| Log Po/w (XLOGP3) : 0.770 |
| Log Po/w (WLOGP) : 1.390 |
| Log Po/w (MLOGP) : 1.530 |
| Log Po/w (SILICOS-IT) : 2.020 |
| Consensus Log Po/w : 1.510 |