[(2R,3R,4R,5S,6S)-6-[(3S,4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
| Internal ID | c9721fe5-fe3f-4bfc-b0cf-bfdb184c2859 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(2R,3R,4R,5S,6S)-6-[(3S,4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H34O10/c1-7-12(4)19(26)31-16-14(10-24)30-22(15(25)17(16)32-20(27)13(5)8-2)33-18-21(28)29-11-23(18,6)9-3/h7-8,14-18,22,24-25H,9-11H2,1-6H3/b12-7-,13-8-/t14-,15+,16-,17-,18-,22+,23+/m1/s1 |
| InChI Key | HYVRDAVINPRPHX-QDGROAIRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H34O10 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4R,5S,6S)-6-[(3S,4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b3e0bd30-860a-11ee-a252-c349da060323.jpg "2D Structure of [(2R,3R,4R,5S,6S)-6-[(3S,4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.54% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.93% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.39% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.10% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.47% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.09% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.60% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.14% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.55% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.40% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.02% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.89% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.68% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.09% | 92.62% |
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.
| Vernonia angustifolia |
| PubChem | 163047499 |
| LOTUS | LTS0070644 |
| wikiData | Q105035486 |