(2R,3R,4S,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
| Internal ID | 14a11e3c-6b1d-42dc-8d28-48d02a620c2d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | (2R,3R,4S,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18+,19-,21-/m1/s1 |
| InChI Key | XYWFSSFJPFAYCA-BSOUQAEPSA-O |
| Popularity | 8 references in papers |
| Molecular Formula | C21H21O11+ |
| Molecular Weight | 449.40 g/mol |
| Exact Mass | 449.10838648 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/ab723c30-881f-11ee-8167-cffa08d8bdb8.jpg "2D Structure of (2R,3R,4S,5R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol")
| 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 | 99.37% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.37% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.54% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL204 | P00734 | Thrombin | 91.21% | 96.01% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.96% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.06% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.08% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.81% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.50% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.34% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.18% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.01% | 88.48% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.85% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.46% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.74% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.52% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.70% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 80.61% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.57% | 85.14% |
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.
| There are no matching plants. |
| PubChem | 154497195 |
| LOTUS | LTS0131322 |
| wikiData | Q105344706 |