2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy]chromen-4-one
| Internal ID | 04175b3e-b390-4beb-920a-5de8f03a63dd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy]chromen-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)O)OC5C(C(C(CO5)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)O |
| InChI | InChI=1S/C25H26O16/c26-8-2-1-7(3-9(8)27)13-4-10(28)14-17(33)22(40-24-18(34)15(31)11(29)5-37-24)20(36)23(21(14)39-13)41-25-19(35)16(32)12(30)6-38-25/h1-4,11-12,15-16,18-19,24-27,29-36H,5-6H2/t11-,12-,15-,16-,18+,19+,24-,25-/m0/s1 |
| InChI Key | XFZDHFGEFHHDFI-ANQPWXJHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O16 |
| Molecular Weight | 582.50 g/mol |
| Exact Mass | 582.12208474 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2cda5850-834e-11ee-8298-9df8fa4e14a2.jpg "2D Structure of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy]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 | 99.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.09% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.94% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.38% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.63% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.90% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.30% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.14% | 83.57% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.71% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.14% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.07% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.77% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 85.50% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.43% | 95.64% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.92% | 80.33% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 82.22% | 89.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.30% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.00% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.96% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.74% | 99.23% |
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.
| Carthamus tinctorius |
| Plagiochasma rupestre |
| PubChem | 162936687 |
| LOTUS | LTS0238406 |
| wikiData | Q105149515 |