methyl (3R,4R)-4-[[(2R,4R,5S)-4-ethyl-2-methyl-5-propyloxolan-2-yl]methyl]-3-hydroxyhexanoate
| Internal ID | 6386112e-23cf-4e1d-bd85-6f1b2d02509b |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | methyl (3R,4R)-4-[[(2R,4R,5S)-4-ethyl-2-methyl-5-propyloxolan-2-yl]methyl]-3-hydroxyhexanoate |
| SMILES (Canonical) | CCCC1C(CC(O1)(C)CC(CC)C(CC(=O)OC)O)CC |
| SMILES (Isomeric) | CCC[C@H]1[C@@H](C[C@@](O1)(C)C[C@@H](CC)[C@@H](CC(=O)OC)O)CC |
| InChI | InChI=1S/C18H34O4/c1-6-9-16-14(8-3)12-18(4,22-16)11-13(7-2)15(19)10-17(20)21-5/h13-16,19H,6-12H2,1-5H3/t13-,14-,15-,16+,18-/m1/s1 |
| InChI Key | QTIDITTUVQRPIP-MAPUTHEBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H34O4 |
| Molecular Weight | 314.50 g/mol |
| Exact Mass | 314.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of methyl (3R,4R)-4-[[(2R,4R,5S)-4-ethyl-2-methyl-5-propyloxolan-2-yl]methyl]-3-hydroxyhexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-3r4r-4-2r4r5s-4-ethyl-2-methyl-5-propyloxolan-2-ylmethyl-3-hydroxyhexanoate.jpg "2D Structure of methyl (3R,4R)-4-[[(2R,4R,5S)-4-ethyl-2-methyl-5-propyloxolan-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 | 98.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.86% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.22% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.12% | 98.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.95% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.14% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.67% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.66% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.27% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.09% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.96% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.92% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.55% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.38% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.94% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.93% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.65% | 98.75% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.33% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.91% | 92.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.01% | 97.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.67% | 98.59% |
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 | 10335814 |
| LOTUS | LTS0063638 |
| wikiData | Q105227731 |