[2-[2-(Butan-2-yloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate
| Internal ID | d6bd67dc-300e-4110-a1ce-575f4953e190 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [2-[2-(butan-2-yloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate |
| SMILES (Canonical) | CCC(C)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C |
| SMILES (Isomeric) | CCC(C)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C |
| InChI | InChI=1S/C18H26O4/c1-6-14(5)20-10-18(11-21-18)15-8-7-13(4)9-16(15)22-17(19)12(2)3/h7-9,12,14H,6,10-11H2,1-5H3 |
| InChI Key | XJISCUUMFZZYAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O4 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [2-[2-(Butan-2-yloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-butan-2-yloxymethyloxiran-2-yl-5-methylphenyl-2-methylpropanoate.jpg "2D Structure of [2-[2-(Butan-2-yloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate")
| 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 | 98.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.18% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.69% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.91% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.23% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.31% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.12% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.22% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.18% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.09% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.89% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.63% | 98.75% |
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.
| Hymenopappus newberryi |
| PubChem | 162977135 |
| LOTUS | LTS0079092 |
| wikiData | Q105328998 |