Gallic acid 3-O-(6-galloylglucoside)
| Internal ID | ace29210-cf04-4f44-a848-f62779b35bcd |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 3,4-dihydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O |
| InChI | InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30) |
| InChI Key | NRQUZRZEYPSZEY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O14 |
| Molecular Weight | 484.40 g/mol |
| Exact Mass | 484.08530531 g/mol |
| Topological Polar Surface Area (TPSA) | 244.00 Ų |
| XlogP | -0.80 |
| 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 | 97.81% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.48% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.21% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.71% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.68% | 96.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.99% | 95.64% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.34% | 83.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.22% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.98% | 92.50% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 84.38% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.12% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.08% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.01% | 89.34% |
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.
| Calea reticulata |
| Camellia japonica |
| Dahlia coccinea |
| Duhaldea cuspidata |
| Melastoma dodecandrum |
| Phyllanthus emblica |
| Sanguisorba officinalis |
| Syzygium aromaticum |
| PubChem | 73157749 |
| LOTUS | LTS0109539 |
| wikiData | Q105303958 |