2-[3-Oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
| Internal ID | 484c3e85-0bf0-4538-9a18-3cc5bfab0932 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[3-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid |
| SMILES (Canonical) | CC(C=CCC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | CC(C=CCC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22) |
| InChI Key | LAYQBSCEPAXXNJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O9 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of 2-[3-Oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-oxo-2-4-345-trihydroxy-6-hydroxymethyloxan-2-yloxypent-2-enylcyclopentylacetic-acid.jpg "2D Structure of 2-[3-Oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.38% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.07% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.56% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.25% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.95% | 95.93% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.85% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.37% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.78% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.75% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.71% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.22% | 92.32% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.34% | 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.
| Solanum tuberosum |
| PubChem | 77732983 |
| LOTUS | LTS0265877 |
| wikiData | Q105149092 |