7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | 8a0642b7-d07b-4813-9627-5356799c8e81 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
| InChI | InChI=1S/C26H28O14/c27-8-18-21(33)22(34)24(40-25-23(35)20(32)15(31)9-36-25)26(39-18)37-12-5-13(29)19-14(30)7-16(38-17(19)6-12)10-1-3-11(28)4-2-10/h1-7,15,18,20-29,31-35H,8-9H2 |
| InChI Key | SPOURJSTJFHIPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O14 |
| Molecular Weight | 564.50 g/mol |
| Exact Mass | 564.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3480c910-838a-11ee-8d05-cff04c22a645.jpg "2D Structure of 7-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-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 | 99.72% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.04% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.14% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.76% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.39% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.55% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.33% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.57% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.20% | 83.57% |
| CHEMBL3194 | P02766 | Transthyretin | 88.00% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.82% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.71% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.33% | 95.83% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.66% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.43% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.19% | 95.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.19% | 80.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.18% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.81% | 96.21% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.33% | 98.35% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.76% | 85.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.52% | 97.28% |
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.
| Viburnum lantanoides |
| PubChem | 74977515 |
| LOTUS | LTS0179051 |
| wikiData | Q105257499 |