Methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate
| Internal ID | c0b434db-1fbf-4c48-b015-323e80115fce |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate |
| SMILES (Canonical) | COC(=O)C1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O |
| SMILES (Isomeric) | COC(=O)C1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O |
| InChI | InChI=1S/C16H10O5/c1-21-16(20)8-6-11-13(12(17)7-8)15(19)10-5-3-2-4-9(10)14(11)18/h2-7,17H,1H3 |
| InChI Key | IZNXOJBPRAPPOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H10O5 |
| Molecular Weight | 282.25 g/mol |
| Exact Mass | 282.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.55% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.65% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.13% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.18% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.02% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.58% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.30% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.15% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.83% | 99.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.93% | 93.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.90% | 96.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.73% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.61% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.42% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.73% | 89.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.46% | 92.67% |
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.
| Rubia alata |
| Rubia cordifolia |
| Rubia oncotricha |
| PubChem | 10902055 |
| LOTUS | LTS0168311 |
| wikiData | Q105123325 |