Kaempferol 3-glucuronide
| Internal ID | c833d49f-816a-447d-acb2-51ceb2c6ebeb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-3-O-glucuronides |
| IUPAC Name | (2S,3S,4S,5R,6S)-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)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](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)/t14-,15-,16+,19-,21+/m0/s1 |
| InChI Key | FNTJVYCFNVUBOL-ZUGPOPFOSA-N |
| Popularity | 5 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 |
| Kaempferol 3-O-|A-D-glucuronide |
| Kaempferol 3-O-beta-D-glucuronide |
| Kaempferol-O-glucuronide |
| Kaempferol 3-O-glucuronide |
| Kaempferol-3-beta-O-glucuronide |
| kaempferol glucuronide |
| Kaempferol3-glucuronide |
| (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| MEGxp0_000322 |
| 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 | 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.
To see more specific details click the taxa you are interested in.
| PubChem | 5318759 |
| NPASS | NPC11666 |
| LOTUS | LTS0189686 |
| wikiData | Q27145499 |