2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 35e85dac-35b8-456c-8e8d-591e27786e72 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C2=C(C=C(C=C2OC(=C1OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O)O |
| SMILES (Isomeric) | C1C2=C(C=C(C=C2OC(=C1OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O)O |
| InChI | InChI=1S/C21H22O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,16-19,21-29H,6-7H2 |
| InChI Key | ZDQHCVFHPTWFMA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O11 |
| Molecular Weight | 450.40 g/mol |
| Exact Mass | 450.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-34-dihydroxyphenyl-57-dihydroxy-4h-chromen-3-yloxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-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 | 99.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.44% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.79% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.49% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.01% | 95.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.82% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.73% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.60% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.29% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.86% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.14% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.59% | 92.94% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.00% | 94.45% |
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.
| Potentilla anserina |
| PubChem | 163084297 |
| LOTUS | LTS0112054 |
| wikiData | Q105372575 |