[(2R)-2-[4-methyl-2-(3-methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylbutanoate
| Internal ID | 2351f264-3825-411e-a5f6-3689bf203f81 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [(2R)-2-[4-methyl-2-(3-methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O5/c1-13(2)8-18(21)23-11-20(12-24-20)16-7-6-15(5)10-17(16)25-19(22)9-14(3)4/h6-7,10,13-14H,8-9,11-12H2,1-5H3/t20-/m0/s1 |
| InChI Key | OLBMFUJBQAYNKT-FQEVSTJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-[4-methyl-2-(3-methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-4-methyl-2-3-methylbutanoyloxyphenyloxiran-2-ylmethyl-3-methylbutanoate.jpg "2D Structure of [(2R)-2-[4-methyl-2-(3-methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.16% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.50% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.31% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.30% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.70% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.18% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.97% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.57% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.45% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.25% | 99.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.95% | 93.18% |
| CHEMBL5028 | O14672 | ADAM10 | 81.59% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.50% | 96.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163014316 |
| LOTUS | LTS0192482 |
| wikiData | Q105193890 |