5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxychromen-4-one
| Internal ID | a8447c17-c9fb-49e0-82c3-44b831dafc63 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O12/c22-7-20(30)18(28)19(29)21(8-23,33-20)32-17-15(27)14-12(26)5-11(25)6-13(14)31-16(17)9-1-3-10(24)4-2-9/h1-6,18-19,22-26,28-30H,7-8H2 |
| InChI Key | NAUVXVKNTPIQFG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O12 |
| Molecular Weight | 464.40 g/mol |
| Exact Mass | 464.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a9a7ae70-86aa-11ee-824b-01bf47c8533a.jpg "2D Structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxychromen-4-one")
| 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 | 99.11% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.49% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.94% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.42% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 91.13% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.06% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.53% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.05% | 98.35% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.27% | 95.64% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.93% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.41% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.18% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.96% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.88% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.80% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.90% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.55% | 93.99% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.34% | 95.53% |
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.
| Gossypium hirsutum |
| PubChem | 162851989 |
| LOTUS | LTS0201050 |
| wikiData | Q105176545 |