(2R)-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
| Internal ID | 9d4187e3-5903-4551-a85a-351f416499c8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | (2R)-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C3=C(C(=O)CC(O3)C4=CC=C(C=C4)O)C(=C2)O)O)O)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C3=C(C(=O)C[C@@H](O3)C4=CC=C(C=C4)O)C(=C2)O)O)O)O)O |
| InChI | InChI=1S/C21H22O10/c1-8-16(25)18(27)19(28)21(29-8)31-14-7-12(24)15-11(23)6-13(30-20(15)17(14)26)9-2-4-10(22)5-3-9/h2-5,7-8,13,16,18-19,21-22,24-28H,6H2,1H3/t8-,13-,16+,18+,19-,21+/m1/s1 |
| InChI Key | ZIWPWLNTWQUYLO-UGYUMORSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O10 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (2R)-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7acecc30-8646-11ee-a90f-dbd18e6b9d81.jpg "2D Structure of (2R)-5,8-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-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 | 98.97% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.22% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.36% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.21% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.83% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.68% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.93% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.58% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.30% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.09% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.96% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.32% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.23% | 95.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.69% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.28% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.16% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 83.55% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.75% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.70% | 99.23% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.14% | 97.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.46% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.54% | 99.15% |
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.
| Spartium junceum |
| PubChem | 162855610 |
| LOTUS | LTS0178947 |
| wikiData | Q105377630 |