[2-[4-Methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methyl acetate
| Internal ID | 781fc52f-5422-4415-9ac5-d6280e32ac1f |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | [2-[4-methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methyl acetate |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C2(CO2)COC(=O)C)OCC(C)C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)C2(CO2)COC(=O)C)OCC(C)C |
| InChI | InChI=1S/C16H22O4/c1-11(2)8-18-15-7-12(3)5-6-14(15)16(10-20-16)9-19-13(4)17/h5-7,11H,8-10H2,1-4H3 |
| InChI Key | FBZJTDYUBDAZIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.34 g/mol |
| Exact Mass | 278.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [2-[4-Methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-methyl-2-2-methylpropoxyphenyloxiran-2-ylmethyl-acetate.jpg "2D Structure of [2-[4-Methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methyl acetate")
| 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 | 98.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.49% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.40% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.20% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.17% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.11% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.85% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.56% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.31% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.29% | 97.21% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 84.81% | 91.65% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.60% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.41% | 89.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.21% | 90.24% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.83% | 93.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 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.
| Calea sickii |
| Perityle emoryi |
| PubChem | 14543612 |
| LOTUS | LTS0098640 |
| wikiData | Q104993024 |