[3-[3-Methoxy-4-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate
| Internal ID | f87cc9b5-f53d-4bc9-add5-d9818082322a |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [3-[3-methoxy-4-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OCC1C(O1)C2=CC(=C(C=C2)OC(=O)C(C)C)OC |
| SMILES (Isomeric) | CCC(C)C(=O)OCC1C(O1)C2=CC(=C(C=C2)OC(=O)C(C)C)OC |
| InChI | InChI=1S/C19H26O6/c1-6-12(4)19(21)23-10-16-17(24-16)13-7-8-14(15(9-13)22-5)25-18(20)11(2)3/h7-9,11-12,16-17H,6,10H2,1-5H3 |
| InChI Key | PSKGEGCPRNMROV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O6 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 74.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [3-[3-Methoxy-4-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-methoxy-4-2-methylpropanoyloxyphenyloxiran-2-ylmethyl-2-methylbutanoate.jpg "2D Structure of [3-[3-Methoxy-4-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 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 | 99.15% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.23% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.04% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.72% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.93% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.83% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.65% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.14% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.28% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.43% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.02% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.96% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.79% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.61% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.88% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.52% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.14% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.04% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.31% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.00% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.76% | 94.00% |
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.
| Cosmos caudatus |
| PubChem | 101923619 |
| LOTUS | LTS0196643 |
| wikiData | Q105214222 |