[4-[3-(Hydroxymethyl)oxiran-2-yl]-2-methoxyphenyl] 2-methylpropanoate
| Internal ID | 4cb41fbf-72e9-4461-a0cb-a5227ce42346 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [4-[3-(hydroxymethyl)oxiran-2-yl]-2-methoxyphenyl] 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC1=C(C=C(C=C1)C2C(O2)CO)OC |
| SMILES (Isomeric) | CC(C)C(=O)OC1=C(C=C(C=C1)C2C(O2)CO)OC |
| InChI | InChI=1S/C14H18O5/c1-8(2)14(16)19-10-5-4-9(6-11(10)17-3)13-12(7-15)18-13/h4-6,8,12-13,15H,7H2,1-3H3 |
| InChI Key | ANYWMXKIXPPVQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O5 |
| Molecular Weight | 266.29 g/mol |
| Exact Mass | 266.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [4-[3-(Hydroxymethyl)oxiran-2-yl]-2-methoxyphenyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-hydroxymethyloxiran-2-yl-2-methoxyphenyl-2-methylpropanoate.jpg "2D Structure of [4-[3-(Hydroxymethyl)oxiran-2-yl]-2-methoxyphenyl] 2-methylpropanoate")
| 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 | 98.96% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.94% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.25% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.85% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.82% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.31% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.48% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.53% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.95% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.97% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.82% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.73% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.05% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.77% | 94.00% |
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.
| Coreopsis grandiflora |
| PubChem | 13559451 |
| LOTUS | LTS0192515 |
| wikiData | Q104915498 |