7-Hydroxy-2-(4-hydroxyphenyl)-3-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
| Internal ID | 9f789244-482e-4889-b2a0-810dd2931c59 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 7-hydroxy-2-(4-hydroxyphenyl)-3-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=CC3=C2C(=O)C(=C(O3)C4=CC=C(C=C4)O)C)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=CC3=C2C(=O)C(=C(O3)C4=CC=C(C=C4)O)C)O)O)O)O |
| InChI | InChI=1S/C22H22O9/c1-9-17(25)16-14(30-21(9)11-3-5-12(23)6-4-11)7-13(24)8-15(16)31-22-20(28)19(27)18(26)10(2)29-22/h3-8,10,18-20,22-24,26-28H,1-2H3 |
| InChI Key | YKPKNHFJZZQJQU-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 | 1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.47% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.51% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.35% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.81% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.33% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.00% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.95% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.41% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.00% | 95.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.25% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.47% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 87.42% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.74% | 95.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.37% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.21% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.13% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.78% | 90.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.77% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.43% | 96.21% |
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.
| Syzygium kurzii |
| PubChem | 74977508 |
| LOTUS | LTS0075539 |
| wikiData | Q105349824 |