5,7,3',4'-Tetrahydroxy-8-methylisoflavon
| Internal ID | 9c1e9284-9d6b-4f92-8063-02169f842bc8 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methylchromen-4-one |
| SMILES (Canonical) | CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C16H12O6/c1-7-11(18)5-13(20)14-15(21)9(6-22-16(7)14)8-2-3-10(17)12(19)4-8/h2-6,17-20H,1H3 |
| InChI Key | NOTYLVGBOXQKED-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.70 |
| 5,7,3',4'-Tetrahydroxy-8-methylisoflavon |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.38% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.56% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.30% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.77% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.39% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.09% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.31% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.14% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.45% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.79% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.26% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 81.13% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.08% | 80.78% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.19% | 94.42% |
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.
| There are no matching plants. |
| PubChem | 10542202 |
| LOTUS | LTS0129979 |
| wikiData | Q105182808 |