[3-[4-(3-Methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylpentanoate
| Internal ID | 5a5f1623-be58-4e1e-abcd-9c61f3d28ff6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Glycidol esters |
| IUPAC Name | [3-[4-(3-methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylpentanoate |
| SMILES (Canonical) | CCC(C)CC(=O)OCC1C(O1)C2=CC=C(C=C2)OC(=O)CC(C)C |
| SMILES (Isomeric) | CCC(C)CC(=O)OCC1C(O1)C2=CC=C(C=C2)OC(=O)CC(C)C |
| InChI | InChI=1S/C20H28O5/c1-5-14(4)11-18(21)23-12-17-20(25-17)15-6-8-16(9-7-15)24-19(22)10-13(2)3/h6-9,13-14,17,20H,5,10-12H2,1-4H3 |
| InChI Key | PLUGOYLSSIJTBX-UHFFFAOYSA-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 | 4.20 |
| There are no found synonyms. |
![2D Structure of [3-[4-(3-Methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-3-methylbutanoyloxyphenyloxiran-2-ylmethyl-3-methylpentanoate.jpg "2D Structure of [3-[4-(3-Methylbutanoyloxy)phenyl]oxiran-2-yl]methyl 3-methylpentanoate")
| 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 | 97.26% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.69% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.87% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.84% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.22% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.88% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.43% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.35% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.81% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.94% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.80% | 93.56% |
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.
| Anisopappus pinnatifida |
| PubChem | 14287124 |
| LOTUS | LTS0248274 |
| wikiData | Q105211233 |