(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one
| Internal ID | 712a45d3-4110-4469-b560-51f0c5973582 |
| Taxonomy | Organoheterocyclic compounds > Oxolanes |
| IUPAC Name | (E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O4/c1-6-15(5)10-8-13(18-15)11(2)12(16)7-9-14(3,4)19-17/h6-7,9,11,13,17H,1,8,10H2,2-5H3/b9-7+/t11-,13+,15+/m1/s1 |
| InChI Key | WKCHNXVWJKIODW-BSCSQGBWSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/e2s-2-2s5r-5-ethenyl-5-methyloxolan-2-yl-6-hydroperoxy-6-methylhept-4-en-3-one.jpg "2D Structure of (E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroperoxy-6-methylhept-4-en-3-one")
| 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 | 97.76% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.45% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.23% | 97.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.45% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.85% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.60% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.55% | 95.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.10% | 96.61% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 86.02% | 82.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.97% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.69% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.75% | 96.47% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.39% | 97.93% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.98% | 85.31% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 83.89% | 98.51% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.39% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.19% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.94% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.89% | 92.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.73% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.01% | 97.09% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.94% | 92.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.24% | 93.04% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.09% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.02% | 97.50% |
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.
| Artemisia abrotanum |
| Artemisia herba-alba |
| Tanacetum vulgare |
| PubChem | 12132774 |
| LOTUS | LTS0137991 |
| wikiData | Q105307212 |