[2-methoxy-4-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (3S)-3-methylpentanoate
| Internal ID | fb7fb1a0-614f-4986-8d06-d60eef1c024d |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-methoxy-4-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (3S)-3-methylpentanoate |
| SMILES (Canonical) | CCC(C)CC(=O)OC1=C(C=C(C=C1)C2C(O2)C)OC |
| SMILES (Isomeric) | CC[C@H](C)CC(=O)OC1=C(C=C(C=C1)[C@@H]2[C@H](O2)C)OC |
| InChI | InChI=1S/C16H22O4/c1-5-10(2)8-15(17)20-13-7-6-12(9-14(13)18-4)16-11(3)19-16/h6-7,9-11,16H,5,8H2,1-4H3/t10-,11+,16-/m0/s1 |
| InChI Key | GTFYEMGFMDYRJT-USBNGQNGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.34 g/mol |
| Exact Mass | 278.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [2-methoxy-4-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (3S)-3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-methoxy-4-2r3r-3-methyloxiran-2-ylphenyl-3s-3-methylpentanoate.jpg "2D Structure of [2-methoxy-4-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (3S)-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 | 98.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.17% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.97% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.08% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.94% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.93% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.21% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.39% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.36% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.42% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.40% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.09% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.08% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.06% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.06% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.45% | 97.09% |
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 | 163044206 |
| LOTUS | LTS0206796 |
| wikiData | Q105018624 |