2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)chromen-4-one
| Internal ID | eb92ad64-3855-4043-9208-1f7900a60424 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)chromen-4-one |
| SMILES (Canonical) | CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(=C)C(CCC(C)(C)O)CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)O |
| InChI | InChI=1S/C25H28O8/c1-12(2)13(7-8-25(3,4)32)9-16-18(28)11-19(29)20-21(30)22(31)24(33-23(16)20)15-6-5-14(26)10-17(15)27/h5-6,10-11,13,26-29,31-32H,1,7-9H2,2-4H3 |
| InChI Key | XEDWPQREESERDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O8 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 4.00 |
| 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 | 99.40% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.15% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.33% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.08% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.67% | 94.73% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.89% | 90.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.46% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.15% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.23% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.64% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.75% | 99.15% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 84.59% | 95.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.86% | 98.35% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.24% | 100.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.10% | 96.12% |
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.
| Sophora flavescens |
| PubChem | 5318896 |
| LOTUS | LTS0220677 |
| wikiData | Q105326286 |