5-Hydroxy-7-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
| Internal ID | d92429a0-7a42-4fa2-8fd0-045098baa3ef |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 5-hydroxy-7-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)C)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)C)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C22H22O11/c1-7-3-10(23)14-13(4-7)32-20(9-5-11(24)16(27)12(25)6-9)21(17(14)28)33-22-19(30)18(29)15(26)8(2)31-22/h3-6,8,15,18-19,22-27,29-30H,1-2H3 |
| InChI Key | OZUVELYEDFNKKM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O11 |
| Molecular Weight | 462.40 g/mol |
| Exact Mass | 462.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.32% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.25% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.91% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.19% | 95.64% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.72% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.04% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.53% | 97.36% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.47% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.25% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.68% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.41% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.23% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.06% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.24% | 94.80% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.26% | 81.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.96% | 91.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.37% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.80% | 93.65% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.38% | 80.33% |
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.
| Euphorbia hirta |
| PubChem | 162946577 |
| LOTUS | LTS0171087 |
| wikiData | Q105204145 |