Methyl 4-[(4-ethyl-2-methyl-5-propanoyloxolan-2-yl)methyl]-3-hydroxyhexanoate
| Internal ID | a8d0ab97-1989-4278-8dca-8f6631b93b12 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | methyl 4-[(4-ethyl-2-methyl-5-propanoyloxolan-2-yl)methyl]-3-hydroxyhexanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H32O5/c1-6-12(15(20)9-16(21)22-5)10-18(4)11-13(7-2)17(23-18)14(19)8-3/h12-13,15,17,20H,6-11H2,1-5H3 |
| InChI Key | XWFAISHVLMANJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H32O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of Methyl 4-[(4-ethyl-2-methyl-5-propanoyloxolan-2-yl)methyl]-3-hydroxyhexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-4-4-ethyl-2-methyl-5-propanoyloxolan-2-ylmethyl-3-hydroxyhexanoate.jpg "2D Structure of Methyl 4-[(4-ethyl-2-methyl-5-propanoyloxolan-2-yl)methyl]-3-hydroxyhexanoate")
| 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 | 98.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.68% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.24% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.02% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.90% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.02% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.04% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.95% | 92.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.82% | 98.59% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.65% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.15% | 97.09% |
| CHEMBL2474 | P53582 | Methionine aminopeptidase 1 | 82.56% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.51% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.11% | 95.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.89% | 82.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.40% | 90.17% |
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 | 73837489 |
| LOTUS | LTS0127650 |
| wikiData | Q105343346 |