Quercetin 3-xyloside
Internal ID | ee832a63-ea05-4725-97cf-50e56e411585 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
SMILES (Canonical) | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)O)O |
InChI | InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m1/s1 |
InChI Key | BDCDNTVZSILEOY-WNJKXWAASA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H18O11 |
Molecular Weight | 434.30 g/mol |
Exact Mass | 434.08491139 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | 1.00 |
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 | 99.53% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.43% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.96% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.26% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 91.02% | 91.49% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.84% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.58% | 99.17% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.58% | 95.64% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 88.77% | 90.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.38% | 86.92% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.32% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.26% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.84% | 95.56% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.25% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.96% | 97.09% |
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.
Erythroxylum campestre |
Hypericum androsaemum |
Hypericum undulatum |
Pilularia minuta |
Rosa multiflora |
Vaccinium macrocarpon |
PubChem | 5321278 |
LOTUS | LTS0087900 |
wikiData | Q104391205 |