Ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-2-carboxylate
| Internal ID | 2eb7254a-125b-4e27-9917-3f3ae10555ed |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-2-carboxylate |
| SMILES (Canonical) | CCOC(=O)C1CC2=C(C1=O)OC(=O)C3=CC(=C(C(=C23)O)O)O |
| SMILES (Isomeric) | CCOC(=O)C1CC2=C(C1=O)OC(=O)C3=CC(=C(C(=C23)O)O)O |
| InChI | InChI=1S/C15H12O8/c1-2-22-14(20)7-3-5-9-6(4-8(16)11(18)12(9)19)15(21)23-13(5)10(7)17/h4,7,16,18-19H,2-3H2,1H3 |
| InChI Key | HJXJFWMRDBPCQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O8 |
| Molecular Weight | 320.25 g/mol |
| Exact Mass | 320.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 0.80 |
| BDBM50487934 |
![2D Structure of Ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ethyl-789-trihydroxy-35-dioxo-12-dihydrocyclopentacisochromene-2-carboxylate.jpg "2D Structure of Ethyl 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-2-carboxylate")
| 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 | 99.19% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.48% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.04% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.74% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.23% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.39% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.38% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.20% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.36% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.23% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.94% | 92.62% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.93% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.93% | 90.71% |
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.
| Acer oblongum |
| Phyllanthus niruri |
| Strychnos kasengaensis |
| Strychnos matopensis |
| PubChem | 76326537 |
| LOTUS | LTS0130942 |
| wikiData | Q105179190 |