[2-methoxy-4-[(2R,3R)-3-(2-methylpropoxymethyl)oxiran-2-yl]phenyl] 2-methylpropanoate
| Internal ID | cd281739-00d7-4750-ac5d-39e0bf88d9c1 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-methoxy-4-[(2R,3R)-3-(2-methylpropoxymethyl)oxiran-2-yl]phenyl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26O5/c1-11(2)9-21-10-16-17(22-16)13-6-7-14(15(8-13)20-5)23-18(19)12(3)4/h6-8,11-12,16-17H,9-10H2,1-5H3/t16-,17-/m1/s1 |
| InChI Key | UFXASFBTVVJBHT-IAGOWNOFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H26O5 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 57.30 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [2-methoxy-4-[(2R,3R)-3-(2-methylpropoxymethyl)oxiran-2-yl]phenyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-methoxy-4-2r3r-3-2-methylpropoxymethyloxiran-2-ylphenyl-2-methylpropanoate.jpg "2D Structure of [2-methoxy-4-[(2R,3R)-3-(2-methylpropoxymethyl)oxiran-2-yl]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 | 99.07% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.94% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.44% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.18% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.38% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.37% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.22% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.28% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.33% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.65% | 97.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.37% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.22% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.89% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.56% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.16% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.15% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.15% | 86.92% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.99% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.37% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.21% | 89.62% |
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 | 163033963 |
| LOTUS | LTS0050598 |
| wikiData | Q105272196 |