O-glucuronyl quercetin
| Internal ID | 7bb99271-17a9-43c5-ab9f-91042ac2c2b4 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC(=O)C4C(C(C(C(O4)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC(=O)C4C(C(C(C(O4)O)O)O)O)O)O |
| InChI | InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21(31)19-15(28)14(27)16(29)20(30)34-19/h1-5,14-16,19-20,22-25,27-30H |
| InChI Key | LOJXBHNAFUDMIQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18O13 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.07474062 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 0.10 |
| 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 | 99.22% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.82% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.02% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.59% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 91.85% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.27% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.68% | 99.15% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.91% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.47% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.27% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.01% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.80% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.21% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.05% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.31% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.50% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.64% | 90.71% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.27% | 97.53% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.34% | 96.00% |
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.
| Anethum graveolens |
| Eucalyptus cypellocarpa |
| PubChem | 129826672 |
| LOTUS | LTS0162593 |
| wikiData | Q105154763 |