1-[5-(1-Ethoxy-1-oxopropan-2-yl)oxolan-2-yl]butan-2-yl 2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoate
| Internal ID | 41926b93-52a6-4e93-a5b1-8c980f65dbd4 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 1-[5-(1-ethoxy-1-oxopropan-2-yl)oxolan-2-yl]butan-2-yl 2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H40O7/c1-6-17(13-19-9-11-20(29-19)15(4)22(25)27-7-2)30-23(26)16(5)21-10-8-18(28-21)12-14(3)24/h14-21,24H,6-13H2,1-5H3 |
| InChI Key | ZVKREMVFSQFIJJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H40O7 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 1-[5-(1-Ethoxy-1-oxopropan-2-yl)oxolan-2-yl]butan-2-yl 2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-5-1-ethoxy-1-oxopropan-2-yloxolan-2-ylbutan-2-yl-2-5-2-hydroxypropyloxolan-2-ylpropanoate.jpg "2D Structure of 1-[5-(1-Ethoxy-1-oxopropan-2-yl)oxolan-2-yl]butan-2-yl 2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoate")
| 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 | 94.91% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.62% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.03% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.75% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.27% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.76% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.54% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.70% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.59% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.57% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.55% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.96% | 92.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.85% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.58% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.32% | 97.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.83% | 82.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.88% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.87% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.54% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.08% | 96.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.53% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162984904 |
| LOTUS | LTS0166562 |
| wikiData | Q104202834 |