(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-2-hydroxypropan-1-one
| Internal ID | 0aabf238-4dfe-4b4a-ad3e-74d4defa5243 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | (2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-2-hydroxypropan-1-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=C(C=CC(=C2O)C(=O)C(CC3=CC(=C(C=C3)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=CC(=C2O)C(=O)[C@@H](CC3=CC(=C(C=C3)O)O)O)O)O)O)O |
| InChI | InChI=1S/C20H22O11/c21-10-3-1-8(5-12(10)23)6-13(24)15(26)9-2-4-11(22)19(16(9)27)31-20-18(29)17(28)14(25)7-30-20/h1-5,13-14,17-18,20-25,27-29H,6-7H2/t13-,14-,17+,18-,20+/m1/s1 |
| InChI Key | RRIYFXDIXQOTIM-PXFAWVOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O11 |
| Molecular Weight | 438.40 g/mol |
| Exact Mass | 438.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-2-hydroxypropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/a79d5300-8549-11ee-835a-61cc61e49f8b.jpg "2D Structure of (2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-2-hydroxypropan-1-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 | 99.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.36% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.53% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.08% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.65% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.28% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.18% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.46% | 99.15% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.00% | 96.61% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.47% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.87% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.45% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.40% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.23% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.56% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.85% | 97.21% |
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.
| Eysenhardtia polystachya |
| Sisyrinchium palmifolium |
| PubChem | 10622861 |
| LOTUS | LTS0229094 |
| wikiData | Q105006126 |