[2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-hydroxy-5-methylphenyl] (Z)-2-methylbut-2-enoate
| Internal ID | dc9aae9b-0254-425e-8307-65543f9f1db1 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-hydroxy-5-methylphenyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20O6/c1-5-10(2)16(20)23-15-6-11(3)14(19)7-13(15)17(9-22-17)8-21-12(4)18/h5-7,19H,8-9H2,1-4H3/b10-5-/t17-/m0/s1 |
| InChI Key | KKGUKMACTMZKOX-VTGFLYEISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H20O6 |
| Molecular Weight | 320.30 g/mol |
| Exact Mass | 320.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-hydroxy-5-methylphenyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r-2-acetyloxymethyloxiran-2-yl-4-hydroxy-5-methylphenyl-z-2-methylbut-2-enoate.jpg "2D Structure of [2-[(2R)-2-(acetyloxymethyl)oxiran-2-yl]-4-hydroxy-5-methylphenyl] (Z)-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 | 98.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.56% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.78% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.19% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.80% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.31% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.18% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.02% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.23% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.73% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.82% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.61% | 94.00% |
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.
| Eupatorium fortunei |
| PubChem | 163079991 |
| LOTUS | LTS0056914 |
| wikiData | Q105142195 |