5,7-Dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
| Internal ID | dd02d03a-b215-4aa0-9a87-23b83a003909 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=CC=C4)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=CC=C4)O)O)O |
| InChI | InChI=1S/C26H28O9/c1-12(2)9-10-15-16(27)11-17(28)18-20(30)25(23(34-24(15)18)14-7-5-4-6-8-14)35-26-22(32)21(31)19(29)13(3)33-26/h4-9,11,13,19,21-22,26-29,31-32H,10H2,1-3H3 |
| InChI Key | VVWQFHBZEMQMDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O9 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 3.50 |
| 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 | 99.78% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.41% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.15% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.15% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.71% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.14% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.68% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.57% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.37% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.66% | 85.14% |
| CHEMBL240 | Q12809 | HERG | 82.04% | 89.76% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.90% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.80% | 96.00% |
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.
| Epimedium wushanense |
| PubChem | 162987983 |
| LOTUS | LTS0157483 |
| wikiData | Q105297930 |