[5-(1,3-Dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl)-2-methylpent-2-enyl] butanoate
| Internal ID | b5d4fe8f-2754-45a8-83f9-6ae5cdf80e30 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [5-(1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl)-2-methylpent-2-enyl] butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H30O3/c1-5-7-17(20)21-14-15(2)8-6-11-19(4)16-9-12-18(3,22-19)13-10-16/h8-9,12,16H,5-7,10-11,13-14H2,1-4H3 |
| InChI Key | VRSFTZQAXMGNIE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [5-(1,3-Dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl)-2-methylpent-2-enyl] butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-13-dimethyl-2-oxabicyclo222oct-5-en-3-yl-2-methylpent-2-enyl-butanoate.jpg "2D Structure of [5-(1,3-Dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl)-2-methylpent-2-enyl] butanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.94% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.32% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.35% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.12% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.19% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.33% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.30% | 91.19% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.06% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.71% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.68% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.63% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.58% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.43% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.74% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.19% | 92.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162913326 |
| LOTUS | LTS0137492 |
| wikiData | Q105291929 |