Kaempferol-3-O-glucuronoside
Internal ID | 0ac051ad-aa80-4238-a5a3-8ee4d933baab |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-3-O-glucuronides |
IUPAC Name | 6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
InChI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30) |
InChI Key | FNTJVYCFNVUBOL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H18O12 |
Molecular Weight | 462.40 g/mol |
Exact Mass | 462.07982601 g/mol |
Topological Polar Surface Area (TPSA) | 203.00 Ų |
XlogP | 1.00 |
Kaempferol 3-glucuronide |
22688-78-4 |
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
BCP31657 |
AKOS005747099 |
Kaempferol-3-beta-O-glucuronide;Kaempferol 3-O-(c)micro-D-glucuronide;Kaempferol 3-O-glucuronide |
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 | 98.63% | 91.11% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 98.01% | 95.64% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.30% | 89.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.58% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 95.19% | 90.71% |
CHEMBL2581 | P07339 | Cathepsin D | 94.18% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.74% | 99.17% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.25% | 99.15% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.54% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.42% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.38% | 94.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.35% | 95.78% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.02% | 99.23% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.37% | 97.53% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 81.66% | 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.
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PubChem | 14185731 |
LOTUS | LTS0101639 |
wikiData | Q104998505 |