3-O-galloyl-beta-d-glucose
| Internal ID | 54192941-5ba2-4257-85db-df74c8d1d663 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2O)O)CO)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O)CO)O |
| InChI | InChI=1S/C13H16O10/c14-3-7-9(18)11(10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10-,11+,13-/m1/s1 |
| InChI Key | MWEAKAFRGMFWAV-PFWRPDRFSA-N |
| Popularity | 2 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 | -1.40 |
| There are no found synonyms. |
| 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 | 99.23% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 91.77% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.65% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.31% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.93% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.83% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.86% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.81% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.68% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.44% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.98% | 94.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.37% | 83.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.90% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.04% | 91.49% |
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.
| Syzygium cumini |
| Terminalia citrina |
| PubChem | 102303744 |
| LOTUS | LTS0048459 |
| wikiData | Q105173527 |