Salicylic acid beta-glucoside
| Internal ID | 47f2ba1a-0a15-44d9-bb77-acea5dc66011 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| SMILES (Canonical) | C1=CC=C(C(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19) |
| InChI Key | TZPBMNKOLMSJPF-UHFFFAOYSA-N |
| Popularity | 17 references in papers |
| Molecular Formula | C13H16O8 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -1.50 |
| 2-(beta-D-Glucopyranosyloxy)-Benzoic acid |
| NoName_1429 |
| Salicylic acid b-D-glucoside |
| SCHEMBL14164007 |
| DTXSID50902207 |
| CHEBI:176884 |
| SB49120 |
| FT-0771474 |
| 2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzoic 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 | 93.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.35% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.34% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.40% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.61% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.15% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.48% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.19% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.10% | 94.62% |
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.
| Solanum tuberosum |
| PubChem | 4596190 |
| LOTUS | LTS0265288 |
| wikiData | Q105268304 |