2-O-galloylarbutin
| Internal ID | 58af6374-befb-4208-882e-3022ba5f2a0a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O |
| InChI | InChI=1S/C19H20O11/c20-7-13-15(25)16(26)17(19(29-13)28-10-3-1-9(21)2-4-10)30-18(27)8-5-11(22)14(24)12(23)6-8/h1-6,13,15-17,19-26H,7H2/t13-,15-,16+,17-,19-/m1/s1 |
| InChI Key | AKTHZKZTUWBLRC-WIMVFMHDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O11 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.40 |
| CHEMBL526112 |
| [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate |
| 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 | 99.41% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.25% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 93.93% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.52% | 95.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.48% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.65% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.45% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.58% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.42% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.12% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.99% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.88% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.23% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.50% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.22% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.40% | 95.93% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.56% | 94.97% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.54% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.06% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.13% | 86.92% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.91% | 97.53% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.32% | 83.00% |
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.
| Arctostaphylos uva-ursi |
| Eugenia hyemalis |
| PubChem | 44586968 |
| LOTUS | LTS0134661 |
| wikiData | Q104399864 |