[6-[6,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 855f9409-e3bb-4ec7-8de4-d79137815e46 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [6-[6,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H24O17/c29-7-18-25(44-27(41)9-3-15(34)21(38)16(35)4-9)22(39)23(40)28(43-18)45-26-19(36)10-5-11(30)12(31)6-17(10)42-24(26)8-1-13(32)20(37)14(33)2-8/h1-6,18,22-23,25,28-35,37-40H,7H2 |
| InChI Key | PHMILEMOMSRSHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O17 |
| Molecular Weight | 632.50 g/mol |
| Exact Mass | 632.10134929 g/mol |
| Topological Polar Surface Area (TPSA) | 294.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of [6-[6,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/c91122f0-8796-11ee-a81b-e1ece75c5fd4.jpg "2D Structure of [6-[6,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate")
| 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 | 99.82% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.21% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.88% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.60% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.23% | 95.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.79% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.74% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.55% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 89.31% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.47% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.44% | 96.21% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 83.16% | 95.71% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.75% | 96.37% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.68% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.21% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.20% | 94.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.25% | 99.15% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.20% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.92% | 99.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.31% | 96.00% |
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.
| Tellima grandiflora |
| PubChem | 162979890 |
| LOTUS | LTS0068225 |
| wikiData | Q105209092 |