[2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-methoxy-5-methylphenyl] (E)-2-methylbut-2-enoate
| Internal ID | c7c4fa38-96f2-47d6-8aae-dc7bec8f86ad |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-methoxy-5-methylphenyl] (E)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O6/c1-6-11(2)17(20)24-16-7-12(3)15(21-5)8-14(16)18(10-23-18)9-22-13(4)19/h6-8H,9-10H2,1-5H3/b11-6+/t18-/m0/s1 |
| InChI Key | FZEGVWGMVBZRSI-QKIXSCASSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 74.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-methoxy-5-methylphenyl] (E)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r-2-acetyloxymethyloxiran-2-yl-4-methoxy-5-methylphenyl-e-2-methylbut-2-enoate.jpg "2D Structure of [2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-methoxy-5-methylphenyl] (E)-2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.88% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.69% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.46% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.86% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.45% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.77% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.83% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.09% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.49% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.94% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.65% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.95% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.68% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.37% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 81.79% | 97.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.69% | 97.36% |
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 | 163190928 |
| LOTUS | LTS0149492 |
| wikiData | Q105004879 |