6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
| Internal ID | e20c2dd3-bd6e-4736-a822-849b110a2efa |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
| IUPAC Name | 6-(4,5-dihydroxy-6-methyloxan-2-yl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC1C(C(CC(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)OC)O)O)O)O |
| InChI | InChI=1S/C22H22O9/c1-9-21(27)14(26)8-17(30-9)19-13(25)7-18-20(22(19)28)12(24)6-16(31-18)10-3-4-15(29-2)11(23)5-10/h3-7,9,14,17,21,23,25-28H,8H2,1-2H3 |
| InChI Key | VOXHZFGNVVKUEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O9 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
| 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 | 99.10% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.57% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.18% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.99% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.89% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.90% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.17% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.90% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.06% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.71% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.60% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 85.11% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.41% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.11% | 99.15% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.63% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.80% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.73% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.65% | 99.23% |
| PubChem | 14445196 |
| LOTUS | LTS0242251 |
| wikiData | Q105290502 |