Isorhamnetin 3-glucuronide
| Internal ID | 6de108e4-2258-4ad9-9b66-e07e25a6e2d5 |
| 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-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=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) | COC1=C(C=CC(=C1)C2=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/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1 |
| InChI Key | VVZWHOMBDMMRSC-NTKSAMNMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O13 |
| Molecular Weight | 492.40 g/mol |
| Exact Mass | 492.09039069 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 0.90 |
| 36687-76-0 |
| Isorhamnetin-3-glucuronide |
| Isorhamnetin 3-glucuronoside |
| 5MZB5M8D8L |
| (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| 3'-O-Methyl Quercetin 3-O-beta-D-Glucuronide |
| AC1NUSFC |
| UNII-5MZB5M8D8L |
| (2S,3S,4S,5R,6S)-6-(5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4-OXOCHROMEN-3-YL)OXY-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID |
| Isorhamnetin 3-O-beta-D-glucuronide |
| 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 | 98.17% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.25% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.73% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.30% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 93.55% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.32% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.40% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.26% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.34% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.51% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.32% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.10% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.97% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.43% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.29% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.63% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.64% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.83% | 90.00% |
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.
| Arachis hypogaea |
| Bellis perennis |
| Coleogyne ramosissima |
| Persicaria hydropiper |
| Rubus chamaemorus |
| PubChem | 5491630 |
| LOTUS | LTS0084510 |
| wikiData | Q27262578 |