Quercetin 3-sulfate
| Internal ID | df9e8038-f345-4289-ac73-53f4be7751f8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Sulfated flavonoids > 3-sulfated flavonoids |
| IUPAC Name | [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] hydrogen sulfate |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O)O |
| InChI | InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23) |
| InChI Key | DNAYVNOVGHZZLH-UHFFFAOYSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C15H10O10S |
| Molecular Weight | 382.30 g/mol |
| Exact Mass | 381.99946769 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 1.60 |
| 60889-05-6 |
| Quercetin 3-O-sulfate |
| XSS6HSA3AJ |
| CHEBI:17730 |
| [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] hydrogen sulfate |
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hydrogen sulfate |
| 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(sulfooxy)- |
| Quercetinsulfonicacid |
| Flavone, 3,3',4',5,7-pentahydroxy-, 3-sulfate (ester) |
| quercetin 3-monosulphate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.17% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.06% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.12% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.89% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.77% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 91.77% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.30% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.72% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.19% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.64% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.23% | 80.78% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.13% | 95.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.20% | 94.45% |
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.
| Hypericum androsaemum |
| Oenanthe crocata |
| Oenothera speciosa |
| Persicaria hydropiper |
| PubChem | 5280362 |
| LOTUS | LTS0199213 |
| wikiData | Q7271328 |