3-Glucogallic acid
| Internal ID | 0aae70e9-9c6a-4c5b-8aee-935e4a2ebac3 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)C(=O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)C(=O)O |
| InChI | InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21) |
| InChI Key | XRCRYNCPNYQMOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16O10 |
| Molecular Weight | 332.26 g/mol |
| Exact Mass | 332.07434670 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | -1.70 |
| 3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| 91984-84-8 |
| CHEBI:185330 |
| 3-(Beta-d-glucopyranosyloxy)-4,5-dihydroxy-benzoic acid |
| 3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}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 | 98.37% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.61% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.66% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.14% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.31% | 94.73% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 83.47% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.38% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.33% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.28% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.09% | 92.50% |
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.
| Phyllanthus emblica |
| Quercus acutissima |
| PubChem | 14345564 |
| LOTUS | LTS0062974 |
| wikiData | Q105340376 |