Ethyl 2-(3,5-diethyl-2-hydroxy-5-pent-1-enyloxolan-2-yl)acetate
| Internal ID | 2fde607c-8e3f-40be-baa0-2cb3f552bbc6 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | ethyl 2-(3,5-diethyl-2-hydroxy-5-pent-1-enyloxolan-2-yl)acetate |
| SMILES (Canonical) | CCCC=CC1(CC(C(O1)(CC(=O)OCC)O)CC)CC |
| SMILES (Isomeric) | CCCC=CC1(CC(C(O1)(CC(=O)OCC)O)CC)CC |
| InChI | InChI=1S/C17H30O4/c1-5-9-10-11-16(7-3)12-14(6-2)17(19,21-16)13-15(18)20-8-4/h10-11,14,19H,5-9,12-13H2,1-4H3 |
| InChI Key | HVWXQPORZYEZNW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H30O4 |
| Molecular Weight | 298.40 g/mol |
| Exact Mass | 298.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
| 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 | 91.30% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.71% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.64% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.15% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.90% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.83% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.74% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.68% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.20% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.93% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.39% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.27% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.09% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.78% | 97.21% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.73% | 97.47% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.63% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.53% | 91.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.03% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 74051260 |
| LOTUS | LTS0210032 |
| wikiData | Q105034476 |