[2-[2-(hydroxymethyl)oxiran-2-yl]-5-methylphenyl] (Z)-2-methylbut-2-enoate
| Internal ID | 1684c347-6c39-4d06-92f4-a62d5a8f30b0 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[2-(hydroxymethyl)oxiran-2-yl]-5-methylphenyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C(C=CC(=C1)C)C2(CO2)CO |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC1=C(C=CC(=C1)C)C2(CO2)CO |
| InChI | InChI=1S/C15H18O4/c1-4-11(3)14(17)19-13-7-10(2)5-6-12(13)15(8-16)9-18-15/h4-7,16H,8-9H2,1-3H3/b11-4- |
| InChI Key | CQXZARCGOSILEP-WCIBSUBMSA-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 | 1.80 |
| There are no found synonyms. |
![2D Structure of [2-[2-(hydroxymethyl)oxiran-2-yl]-5-methylphenyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-hydroxymethyloxiran-2-yl-5-methylphenyl-z-2-methylbut-2-enoate.jpg "2D Structure of [2-[2-(hydroxymethyl)oxiran-2-yl]-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 | 96.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.59% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.46% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.95% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.70% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.15% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.35% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.05% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.36% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.08% | 97.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.08% | 94.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.90% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.38% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.31% | 91.07% |
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.
| Hofmeisteria schaffneri |
| PubChem | 21592274 |
| LOTUS | LTS0182188 |
| wikiData | Q103813529 |