2-(5-Ethenyl-5-methyloxolan-2-yl)-5-hydroxy-6-methylhept-6-en-3-one
| Internal ID | cfab87c8-66f5-4d05-a016-20517f245376 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Beta-hydroxy ketones |
| IUPAC Name | 2-(5-ethenyl-5-methyloxolan-2-yl)-5-hydroxy-6-methylhept-6-en-3-one |
| SMILES (Canonical) | CC(C1CCC(O1)(C)C=C)C(=O)CC(C(=C)C)O |
| SMILES (Isomeric) | CC(C1CCC(O1)(C)C=C)C(=O)CC(C(=C)C)O |
| InChI | InChI=1S/C15H24O3/c1-6-15(5)8-7-14(18-15)11(4)13(17)9-12(16)10(2)3/h6,11-12,14,16H,1-2,7-9H2,3-5H3 |
| InChI Key | RIQYOQIIAGNDMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.30% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.99% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.36% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.39% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.40% | 94.45% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.62% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.44% | 96.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.14% | 96.77% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.63% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.63% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.93% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.70% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.30% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.92% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.49% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.27% | 91.19% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.77% | 97.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.67% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.18% | 92.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.85% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.84% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.50% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.42% | 89.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.22% | 95.71% |
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.
| Tanacetum vulgare |
| PubChem | 14707390 |
| LOTUS | LTS0144946 |
| wikiData | Q105237076 |