| Phytochemical Name : Parthenium |
| PCNDIDP0023 |
| Pubchem CID : 540288 |
| Molecular formula: C15H20O3 |
| Canonical SMILES : CC1CC2C(CC=C1CCC(=O)C)C(=C)C(=O)O2 |
Synonymes : Parthenium|Parthenium_7.6%|Compound NP-001623|CHEMBL483219|MEGxp0_000589|SCHEMBL10028477|ACon1_000603|CHEBI:181311|2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-, [3aR-(3a.alpha.,7.beta.,8a.alpha.)]-|AKOS040740045|NCGC00168921-01|NCGC00168921-03|7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]uran-2-one|2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-|7-Methyl-3-methylene-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.490 |
| Log Po/w (XLOGP3) : 1.910 |
| Log Po/w (WLOGP) : 2.810 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 3.140 |
| Consensus Log Po/w : 2.550 |