5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
| Internal ID | ae157482-7445-41d0-9dee-a8edf2194677 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OC2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H28O16/c27-6-13-16(32)18(34)20(36)26(40-13)42-24-21(37)23(41-25-19(35)15(31)11(30)7-38-25)17(33)14-10(29)5-12(39-22(14)24)8-1-3-9(28)4-2-8/h1-5,11,13,15-16,18-20,25-28,30-37H,6-7H2 |
| InChI Key | NKVFUCSDZNNOHZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O16 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.13773480 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2898d1b0-8541-11ee-bd49-5f7fd033b898.jpg "2D Structure of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(3,4,5-trihydroxyoxan-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 | 99.60% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.83% | 94.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 95.64% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.99% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.18% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.35% | 97.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.93% | 95.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.60% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.00% | 99.15% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.22% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.87% | 91.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.64% | 86.92% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.54% | 98.35% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.67% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.31% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.22% | 95.78% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.16% | 80.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.11% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.52% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.27% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.17% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.92% | 95.83% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.54% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.97% | 97.28% |
| CHEMBL3194 | P02766 | Transthyretin | 80.45% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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.
| Baccharis gaudichaudiana |
| Ceratonia siliqua |
| Glycyrrhiza glabra |
| PubChem | 73189715 |
| LOTUS | LTS0064793 |
| wikiData | Q105181183 |