methyl (E)-3-[3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxyphenyl]prop-2-enoate
| Internal ID | 999b2154-fe4f-4bc7-9a45-c48250ae1fa9 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | methyl (E)-3-[3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxyphenyl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H18O4/c1-15(2)13(19-15)9-11-8-10(4-6-12(11)16)5-7-14(17)18-3/h4-8,13,16H,9H2,1-3H3/b7-5+/t13-/m1/s1 |
| InChI Key | JNCPSHKLTOZSEA-VUDGCMKMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of methyl (E)-3-[3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxyphenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-e-3-3-2r-33-dimethyloxiran-2-ylmethyl-4-hydroxyphenylprop-2-enoate.jpg "2D Structure of methyl (E)-3-[3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxyphenyl]prop-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 | 99.73% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.76% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.28% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.26% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.65% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.92% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.14% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.58% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.54% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.52% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.39% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.26% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 84.19% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.49% | 92.88% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.25% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.16% | 90.00% |
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.
| Cullen plicatum |
| PubChem | 101712305 |
| LOTUS | LTS0156973 |
| wikiData | Q105131830 |