[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 72ec7341-856c-431c-822b-158518fd0cdb |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=COC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=COC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C22H20O13/c23-10-1-2-32-14-6-9(5-11(24)16(10)14)34-22-20(30)19(29)18(28)15(35-22)7-33-21(31)8-3-12(25)17(27)13(26)4-8/h1-6,15,18-20,22,24-30H,7H2/t15-,18-,19+,20-,22-/m1/s1 |
| InChI Key | YXILAXWYCUASHG-VQIXPAPJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O13 |
| Molecular Weight | 492.40 g/mol |
| Exact Mass | 492.09039069 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/89909fb0-864a-11ee-8204-2d5d58c4d644.jpg "2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxan-2-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.72% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.63% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 93.58% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.27% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.26% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.97% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.45% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.46% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.44% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.43% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.08% | 94.45% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.82% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.53% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.14% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.95% | 95.93% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.94% | 85.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.69% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.02% | 94.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.39% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.24% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.00% | 92.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.83% | 99.15% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.21% | 97.36% |
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.
| Persicaria capitata |
| PubChem | 102342811 |
| LOTUS | LTS0206607 |
| wikiData | Q105367712 |