ethyl (2R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]-4-oxooxolane-2-carboxylate
| Internal ID | 4aa5211d-20cd-465a-ac3f-28a4ef20bb12 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones |
| IUPAC Name | ethyl (2R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]-4-oxooxolane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H14O6/c1-3-14-8(12)6-4-7(11)9(13,15-6)5(2)10/h5-6,10,13H,3-4H2,1-2H3/t5-,6+,9-/m0/s1 |
| InChI Key | CVBPSUAJSKDJNU-MYINAIGISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C9H14O6 |
| Molecular Weight | 218.20 g/mol |
| Exact Mass | 218.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of ethyl (2R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]-4-oxooxolane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ethyl-2r5s-5-hydroxy-5-1s-1-hydroxyethyl-4-oxooxolane-2-carboxylate.jpg "2D Structure of ethyl (2R,5S)-5-hydroxy-5-[(1S)-1-hydroxyethyl]-4-oxooxolane-2-carboxylate")
| 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 | 94.76% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.92% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.26% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.52% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.59% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.41% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.66% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.44% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.25% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.87% | 92.68% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.74% | 98.03% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.15% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.82% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.07% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.18% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.00% | 91.11% |
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.
| There are no matching plants. |
| PubChem | 162941933 |
| LOTUS | LTS0042210 |
| wikiData | Q104970652 |