Ethyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate
| Internal ID | 69340f1b-0cc9-4fbc-b4c0-be57768a54b2 |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | ethyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate |
| SMILES (Canonical) | CCOC(=O)C1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| SMILES (Isomeric) | CCOC(=O)C1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| InChI | InChI=1S/C17H12O6/c1-2-23-17(22)13-11(18)7-10-12(16(13)21)15(20)9-6-4-3-5-8(9)14(10)19/h3-7,18,21H,2H2,1H3 |
| InChI Key | PGBLLBBQEDRQID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.91% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.59% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.32% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.91% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.44% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.03% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.71% | 96.09% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.33% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.30% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.83% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.70% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.28% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.21% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.73% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.29% | 94.00% |
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.
| Plocama pendula |
| PubChem | 10041193 |
| LOTUS | LTS0193914 |
| wikiData | Q105208290 |