[4-methoxy-2-[(2S,3R)-3-methyloxiran-2-yl]phenyl] (2R)-2-methylbutanoate
| Internal ID | d830c7e4-0e40-40e9-981f-22a541b3a742 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [4-methoxy-2-[(2S,3R)-3-methyloxiran-2-yl]phenyl] (2R)-2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C2C(O2)C |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)OC1=C(C=C(C=C1)OC)[C@H]2[C@H](O2)C |
| InChI | InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3/t9-,10-,14-/m1/s1 |
| InChI Key | VXWVNVFBEJTTKA-GPCCPHFNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4-methoxy-2-[(2S,3R)-3-methyloxiran-2-yl]phenyl] (2R)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-2-2s3r-3-methyloxiran-2-ylphenyl-2r-2-methylbutanoate.jpg "2D Structure of [4-methoxy-2-[(2S,3R)-3-methyloxiran-2-yl]phenyl] (2R)-2-methylbutanoate")
| 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 | 98.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.27% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.02% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.68% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.48% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.21% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.07% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.01% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.65% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.06% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.23% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.06% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.90% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.86% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.77% | 98.75% |
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.
| Pimpinella anisum |
| PubChem | 162948610 |
| LOTUS | LTS0148913 |
| wikiData | Q105298802 |