2-(3,4-Dihydroxyphenyl)-7-ethoxy-3-hydroxy-4H-1-benzopyran-4-one
| Internal ID | 0b4ad969-cdee-49b1-8f2f-da14bb37cd64 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-7-ethoxy-3-hydroxychromen-4-one |
| SMILES (Canonical) | CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O |
| SMILES (Isomeric) | CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O |
| InChI | InChI=1S/C17H14O6/c1-2-22-10-4-5-11-14(8-10)23-17(16(21)15(11)20)9-3-6-12(18)13(19)7-9/h3-8,18-19,21H,2H2,1H3 |
| InChI Key | HWUIYLCRDRBZIO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.70 |
| DTXSID10552944 |
| 2-(3,4-dihydroxyphenyl)-7-ethoxy-3-hydroxy-4H-chromen-4-one |
| 2-(3,4-Dihydroxyphenyl)-7-ethoxy-3-hydroxy-4H-1-benzopyran-4-one |
| 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 | 99.43% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.25% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.36% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.10% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.27% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.13% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.12% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.10% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.69% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.26% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.41% | 80.78% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.60% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.74% | 90.71% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.57% | 85.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.08% | 99.23% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.23% | 80.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.18% | 86.92% |
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.
| Tephrosia pumila |
| PubChem | 13940734 |
| LOTUS | LTS0186414 |
| wikiData | Q82433378 |