6-Oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-8,11-dienoic acid
| Internal ID | b9e04bb8-3d0b-4fe3-b03d-9ab32823dfe3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 6-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-8,11-dienoic acid |
| SMILES (Canonical) | CCC=CCC=CCC(=O)C(CCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | CCC=CCC=CCC(=O)C(CCCC(=O)O)OC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI=1S/C20H32O9/c1-2-3-4-5-6-7-9-13(22)14(10-8-11-16(23)24)28-20-19(27)18(26)17(25)15(12-21)29-20/h3-4,6-7,14-15,17-21,25-27H,2,5,8-12H2,1H3,(H,23,24) |
| InChI Key | KNKZVVULPDJUHA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O9 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 6-Oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-8,11-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6-oxo-5-345-trihydroxy-6-hydroxymethyloxan-2-yloxytetradeca-811-dienoic-acid.jpg "2D Structure of 6-Oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-8,11-dienoic acid")
| 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 | 97.92% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.65% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.76% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.07% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.54% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.62% | 93.56% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.36% | 92.32% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.14% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.15% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.98% | 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.
| Lemna aequinoctialis |
| PubChem | 75219397 |
| LOTUS | LTS0062810 |
| wikiData | Q105143454 |