[5-(2-Methylpropanoyloxymethyl)-2-[2-(2-methylpropanoyloxymethyl)oxiran-2-yl]phenyl] 2-methylbut-2-enoate
| Internal ID | 8bd4f89d-2717-42a0-b25c-77932bd2223b |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [5-(2-methylpropanoyloxymethyl)-2-[2-(2-methylpropanoyloxymethyl)oxiran-2-yl]phenyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O7/c1-7-16(6)22(26)30-19-10-17(11-27-20(24)14(2)3)8-9-18(19)23(13-29-23)12-28-21(25)15(4)5/h7-10,14-15H,11-13H2,1-6H3 |
| InChI Key | FQLYKJBUGWXEDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O7 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 91.40 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [5-(2-Methylpropanoyloxymethyl)-2-[2-(2-methylpropanoyloxymethyl)oxiran-2-yl]phenyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4d97d8b0-8559-11ee-b356-2d38e787b0ba.jpg "2D Structure of [5-(2-Methylpropanoyloxymethyl)-2-[2-(2-methylpropanoyloxymethyl)oxiran-2-yl]phenyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.75% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.33% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 92.29% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.34% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.80% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.34% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.08% | 85.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.07% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.12% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.53% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.25% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.09% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.95% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.80% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.52% | 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.
| Athrixia angustissima |
| PubChem | 162919773 |
| LOTUS | LTS0137599 |
| wikiData | Q104999708 |