(1R,2R)-1,3,8-trihydroxy-2-methyl-1,2-dihydroanthracene-9,10-dione
| Internal ID | e228b97b-ec9d-441b-9fd3-0900b4a5638c |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | (1R,2R)-1,3,8-trihydroxy-2-methyl-1,2-dihydroanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H12O5/c1-6-10(17)5-8-12(13(6)18)15(20)11-7(14(8)19)3-2-4-9(11)16/h2-6,13,16-18H,1H3/t6-,13+/m0/s1 |
| InChI Key | BPXJSOVSICVAJD-DAZKTRTLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H12O5 |
| Molecular Weight | 272.25 g/mol |
| Exact Mass | 272.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 1.30 |
| 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 | 98.71% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.15% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.71% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.23% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.23% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.86% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.62% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.85% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.49% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.10% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.93% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.05% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.51% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.46% | 96.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.85% | 93.40% |
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.
| Cassia roxburghii |
| PubChem | 163036781 |
| LOTUS | LTS0089189 |
| wikiData | Q104944203 |