3,5,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 753fd547-0797-4841-af42-a61e5a21a08c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O |
| InChI | InChI=1S/C17H16O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,14-15,18-19,21H,1-2H3 |
| InChI Key | KALYBGCOEHEKGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.10 |
| 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 | 98.30% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.87% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.42% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.72% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.43% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.36% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.30% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.61% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.56% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.27% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.47% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.12% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.56% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.49% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.06% | 89.00% |
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.
| Prunus domestica |
| PubChem | 131836651 |
| LOTUS | LTS0208152 |
| wikiData | Q105137896 |