7-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
| Internal ID | af5d96ad-8a4f-4657-9d74-3e2fb737be21 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 7-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4(C(C(C(O4)CO)O)O)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@]4([C@@H]([C@H]([C@H](O4)CO)O)O)CO)O)O)O |
| InChI | InChI=1S/C21H20O11/c22-7-17-19(28)20(29)21(8-23,32-17)31-10-4-13(26)18-14(27)6-15(30-16(18)5-10)9-1-2-11(24)12(25)3-9/h1-6,17,19-20,22-26,28-29H,7-8H2/t17-,19+,20-,21-/m1/s1 |
| InChI Key | OVYKIGVBXANLEK-GFOJFJKKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O11 |
| Molecular Weight | 448.40 g/mol |
| Exact Mass | 448.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 7-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/75ddfb20-8716-11ee-8604-6f746b57ef61.jpg "2D Structure of 7-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-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 | 99.71% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.58% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.51% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.07% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.27% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.61% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.48% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.40% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 92.77% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.37% | 95.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.32% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.59% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.37% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.63% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.65% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.52% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.01% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.17% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.14% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.02% | 95.93% |
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.
| Cyperus rotundus |
| Scapania nemorea |
| Sonchus oleraceus |
| PubChem | 162940100 |
| LOTUS | LTS0265560 |
| wikiData | Q105257820 |