7-Acetyl-2,8,9-trihydroxy-2,4,4,6-tetramethylanthracene-1,3-dione
| Internal ID | a543f182-3a77-4f3c-b1ac-da7958cb7820 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 7-acetyl-2,8,9-trihydroxy-2,4,4,6-tetramethylanthracene-1,3-dione |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(=C2C(=C1C(=O)C)O)O)C(=O)C(C(=O)C3(C)C)(C)O |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(=C2C(=C1C(=O)C)O)O)C(=O)C(C(=O)C3(C)C)(C)O |
| InChI | InChI=1S/C20H20O6/c1-8-6-10-7-11-14(16(23)13(10)15(22)12(8)9(2)21)17(24)20(5,26)18(25)19(11,3)4/h6-7,22-23,26H,1-5H3 |
| InChI Key | VNKDSIQJVMWJFM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.89% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.77% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.64% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.56% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.03% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.44% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.33% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.92% | 94.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.59% | 93.10% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.50% | 82.38% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.35% | 92.68% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.01% | 99.15% |
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.
| There are no matching plants. |
| PubChem | 23426471 |
| LOTUS | LTS0126232 |
| wikiData | Q105289683 |