[2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 2-methylpropanoate
| Internal ID | 104cc4a7-5d11-4d82-a29f-cf1f82f4f49c |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26O5/c1-12(2)8-21-9-14-5-6-15(18(10-19)11-22-18)16(7-14)23-17(20)13(3)4/h5-7,12-13,19H,8-11H2,1-4H3/t18-/m0/s1 |
| InChI Key | FJXYDZIMINGLJK-SFHVURJKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H26O5 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2s-2-hydroxymethyloxiran-2-yl-5-2-methylpropoxymethylphenyl-2-methylpropanoate.jpg "2D Structure of [2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 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 | 98.40% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.82% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.78% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.76% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.21% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.07% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.56% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.90% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.46% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.84% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.31% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.48% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.11% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.85% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.35% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.35% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.34% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.69% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 162943026 |
| LOTUS | LTS0074163 |
| wikiData | Q104996408 |