| Phytochemical Name : Dehydrovomifoliol |
| PCNDIDD0049 |
| Pubchem CID : 688492 |
| Molecular formula: C13H18O3 |
| Canonical SMILES : CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C |
Synonymes : Dehydrovomifoliol|(+)-Dehydrovomifoliol|(6S)-dehydrovomifoliol|(+)-(S)-Dehydrovomifoliol|39763-33-2|Dehydrovomifoliol, (S)-|Dehydrovomifoliol, (+)-|15764-81-5|(6S)-6-hydroxy-3-oxo-alpha-ionone|3J9E6P8K84|UNII-3J9E6P8K84|CHEBI:4372|(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one|(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one|(4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one|(4S)-4-Hydroxy-3,5,5-trimethyl-4-((1E)-3-oxo-1-buten-1-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (S-(E))-|(S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone|(6R)-6-hydroxy-3-oxo-alpha-ionone|2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, [S-(E)]-|1-HYDROXY-4-KETO-2-IONONE|C02533|(S)-(+)-Dehydrovomifoliol|CHEMBL461278|SCHEMBL15994623|AKOS040761599|LMPR0103050009|Q27106358|(6S)-6-Hydroxy-1,5,5-trimethyl-6-(3-oxo-1-butenyl)cyclohexene-3-one|(4S)-4-hydroxy-3,5,5-trimethyl-4-[(Z)-3-oxobut-1-enyl]cyclohex-2-en-1-one|(4S)-4-Hydroxy-3,5,5-trimethyl-4-[3-oxobut-1-en-1-yl]cyclohex-2-en-1-one|2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-, (4S)-|2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-, (4S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.760 |
| Log Po/w (XLOGP3) : 1.810 |
| Log Po/w (WLOGP) : 1.680 |
| Log Po/w (MLOGP) : 1.590 |
| Log Po/w (SILICOS-IT) : 1.730 |
| Consensus Log Po/w : 1.710 |