2-Hydroxy-3-methoxy-9,10-dioxo-9,10-dihydroanthracene-1-carbaldehyde
| Internal ID | 0b14ae7a-7bb0-4400-b950-46d347e93ed9 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)C=O)O |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)C=O)O |
| InChI | InChI=1S/C16H10O5/c1-21-12-6-10-13(11(7-17)15(12)19)16(20)9-5-3-2-4-8(9)14(10)18/h2-7,19H,1H3 |
| InChI Key | HVUGIQFJZPPVFK-UHFFFAOYSA-N |
| Popularity | 2 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 | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.85% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.82% | 98.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.22% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.11% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.05% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.35% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.96% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.54% | 98.75% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 84.80% | 98.21% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.26% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.67% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.90% | 96.67% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.27% | 90.20% |
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.
| Newbouldia laevis |
| Tithonia diversifolia |
| PubChem | 11550926 |
| LOTUS | LTS0225342 |
| wikiData | Q105034440 |