[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] hydrogen sulfate
| Internal ID | 35d228fb-47c6-4b10-80f9-97893816c40c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H16O10S/c13-5-8-9(15)10(16)11(22-23(17,18)19)12(21-8)20-7-3-1-6(14)2-4-7/h1-4,8-16H,5H2,(H,17,18,19)/t8-,9-,10+,11-,12-/m0/s1 |
| InChI Key | LNOWOUDOPQEEHY-SVNGYHJRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O10S |
| Molecular Weight | 352.32 g/mol |
| Exact Mass | 352.04641788 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4r5r6s-45-dihydroxy-6-hydroxymethyl-2-4-hydroxyphenoxyoxan-3-yl-hydrogen-sulfate.jpg "2D Structure of [(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.64% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.37% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.37% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.65% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.30% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.85% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.22% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.60% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.21% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.92% | 94.97% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.86% | 89.67% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.56% | 95.83% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.82% | 93.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.75% | 95.89% |
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.
| Ilex theezans |
| PubChem | 163185563 |
| LOTUS | LTS0027698 |
| wikiData | Q105154423 |