3-Oxo-alpha-ionol
| Internal ID | 6ca5c22f-111f-4fd5-b2ca-a637a51caeb2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CC(=O)CC(C1C=CC(C)O)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)CC(C1/C=C/C(C)O)(C)C |
| InChI | InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+ |
| InChI Key | MDCGEAGEQVMWPE-AATRIKPKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.30 g/mol |
| Exact Mass | 208.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.60 |
| trans-3-Oxo-alpha-ionol |
| 896107-70-3 |
| 3-Oxo-.alpha.-ionol |
| 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl- |
| 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one |
| (E)-4-(3-Hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-enone |
| CHEBI:177378 |
| 4-(3-Hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one |
| AKOS027322774 |
| FS-7744 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.01% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.84% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.91% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.56% | 96.43% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.77% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.59% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.65% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.51% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.27% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.07% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Nicotiana repanda |
| Prunus persica |
| Prunus spinosa |
| Vitis vinifera |
| PubChem | 5370052 |
| LOTUS | LTS0120878 |
| wikiData | Q104254109 |