[(2R)-2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl (2R)-2-methylbutanoate
| Internal ID | c9bd86fa-c579-47fc-8963-d1887a4fa667 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [(2R)-2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl (2R)-2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)OC[C@]1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C |
| InChI | InChI=1S/C19H26O5/c1-6-14(5)18(21)22-10-19(11-23-19)15-8-7-13(4)9-16(15)24-17(20)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3/t14-,19+/m1/s1 |
| InChI Key | DBEFONQGRSUFQO-KUHUBIRLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O5 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl (2R)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-4-methyl-2-2-methylpropanoyloxyphenyloxiran-2-ylmethyl-2r-2-methylbutanoate.jpg "2D Structure of [(2R)-2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl (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 | 98.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.01% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.79% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.19% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.80% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.32% | 97.21% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.87% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.76% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.99% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.79% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.36% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.93% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.69% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.32% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.03% | 95.89% |
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.
| Ageratina anisochroma |
| Madia sativa |
| PubChem | 163021373 |
| LOTUS | LTS0048248 |
| wikiData | Q104974303 |