3,5,7-Trihydroxy-2-(4-hydroxy-3-methylphenyl)chromen-4-one
| Internal ID | c1f82f1c-755e-428e-a275-1e2b492beacb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxy-3-methylphenyl)chromen-4-one |
| SMILES (Canonical) | CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| SMILES (Isomeric) | CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| InChI | InChI=1S/C16H12O6/c1-7-4-8(2-3-10(7)18)16-15(21)14(20)13-11(19)5-9(17)6-12(13)22-16/h2-6,17-19,21H,1H3 |
| InChI Key | GQODBWLKUWYOFX-UHFFFAOYSA-N |
| Popularity | 0 references 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 | 2.30 |
| 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 | 97.69% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.93% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.48% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.32% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.76% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.10% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.88% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.05% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.03% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 91.40% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.12% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 88.72% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.38% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.58% | 99.23% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 85.83% | 83.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.60% | 90.71% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.40% | 98.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.63% | 94.42% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.55% | 85.00% |
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.
| Arnica acaulis |
| Piper retrofractum |
| PubChem | 20670066 |
| LOTUS | LTS0203832 |
| wikiData | Q105383664 |