2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
| Internal ID | a3498eb2-fc52-4d73-a3d5-9e41afa9848d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1O)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1O)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChI | InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 |
| InChI Key | GEZJVEGHJRPQEX-BZNQNGANSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H16O9 |
| Molecular Weight | 316.26 g/mol |
| Exact Mass | 316.07943208 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | -1.80 |
| 2,5-dihydroxybenzoic acid 2-O-beta-D-glucoside |
| gentisic acid 2-beta-glucoside |
| SCHEMBL4636845 |
| gentisic acid 2-beta-D-glucoside |
| 2-(beta-D-glucosyl)gentisic acid |
| CHEBI:136922 |
| DTXSID101240852 |
| gentisic acid 2-O-beta-D-glucoside |
| 2-(beta-D-glucopyranosyl)gentisic acid |
| 2,5-dihydroxybenzoic acid 2-beta-glucoside |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 94.49% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.02% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.93% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 90.93% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.07% | 98.95% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 86.82% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.69% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.53% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.47% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.80% | 83.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.42% | 94.00% |
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.
| Arabidopsis thaliana |
| PubChem | 49859721 |
| LOTUS | LTS0153503 |
| wikiData | Q76617045 |