Ethyl 2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]acetate
| Internal ID | 350eaeae-35f2-4013-8325-d6f777ae12de |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | ethyl 2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]acetate |
| SMILES (Canonical) | CCOC(=O)CC1=C2C(=CC(=C1)O)OC(=CC2=O)C3=CC=C(C=C3)O |
| SMILES (Isomeric) | CCOC(=O)CC1=C2C(=CC(=C1)O)OC(=CC2=O)C3=CC=C(C=C3)O |
| InChI | InChI=1S/C19H16O6/c1-2-24-18(23)8-12-7-14(21)9-17-19(12)15(22)10-16(25-17)11-3-5-13(20)6-4-11/h3-7,9-10,20-21H,2,8H2,1H3 |
| InChI Key | LMRSBJOFWPRFJK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H16O6 |
| Molecular Weight | 340.30 g/mol |
| Exact Mass | 340.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.60 |
| ethyl 2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]acetate |
| [7-Hydroxy-2-(4-hydroxy-phenyl)-4-oxo-4H-chromen-5-yl]-acetic acid ethyl ester |
![2D Structure of Ethyl 2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ethyl-2-7-hydroxy-2-4-hydroxyphenyl-4-oxo-chromen-5-ylacetate.jpg "2D Structure of Ethyl 2-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-5-yl]acetate")
| 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 | 95.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.35% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.40% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.97% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.09% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.97% | 91.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.65% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.31% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.12% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 85.38% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.31% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.55% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.94% | 96.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.85% | 93.65% |
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.
| Selaginella moellendorffii |
| PubChem | 49776865 |
| LOTUS | LTS0186833 |
| wikiData | Q105154128 |