Digitopurpone
| Internal ID | a31f4629-8e68-4cb0-9b75-0b407ebdf673 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,4,8-trihydroxy-2-methylanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)15(20)10-7(14(11)19)3-2-4-8(10)16/h2-5,16-18H,1H3 |
| InChI Key | PCXFOXVKFKRJSN-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.24 g/mol |
| Exact Mass | 270.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 3.30 |
| 34425-57-5 |
| V20CXI9UG7 |
| 1,4,8-Trihydroxy-2-methyl-9,10-anthracenedione |
| NSC-270535 |
| NSC 270535 |
| UNII-V20CXI9UG7 |
| DTXSID90188003 |
| NSC270535 |
| 1,4,5-trihydroxy-3-methylanthraquinone |
| 9,10-Anthracenedione, 1,4,8-trihydroxy-2-methyl- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.09% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.59% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.05% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.84% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.33% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.79% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.40% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.18% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.49% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.76% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.68% | 90.24% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.28% | 96.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.38% | 93.40% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.13% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.09% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.15% | 90.00% |
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.
| Digitalis purpurea |
| PubChem | 100242 |
| LOTUS | LTS0080814 |
| wikiData | Q83059769 |