7-acetyl-2-[(7R,8S)-7-acetyl-8-hydroxy-6-methyl-1,4-dioxo-7,8-dihydronaphthalen-2-yl]-8-hydroxy-6-methylnaphthalene-1,4-dione
| Internal ID | 0a81f486-1e38-48a1-9ca2-1c226a059f09 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 7-acetyl-2-[(7R,8S)-7-acetyl-8-hydroxy-6-methyl-1,4-dioxo-7,8-dihydronaphthalen-2-yl]-8-hydroxy-6-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC2=C(C(C1C(=O)C)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=C(C(=C4)C)C(=O)C)O |
| SMILES (Isomeric) | CC1=CC2=C([C@H]([C@@H]1C(=O)C)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=C(C(=C4)C)C(=O)C)O |
| InChI | InChI=1S/C26H20O8/c1-9-5-15-17(29)7-13(23(31)21(15)25(33)19(9)11(3)27)14-8-18(30)16-6-10(2)20(12(4)28)26(34)22(16)24(14)32/h5-8,19,25,33-34H,1-4H3/t19-,25-/m0/s1 |
| InChI Key | STQPSQKDXVYIJQ-DFBJGRDBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H20O8 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 7-acetyl-2-[(7R,8S)-7-acetyl-8-hydroxy-6-methyl-1,4-dioxo-7,8-dihydronaphthalen-2-yl]-8-hydroxy-6-methylnaphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/fda387a0-8627-11ee-b9b3-4b59e2799cef.jpg "2D Structure of 7-acetyl-2-[(7R,8S)-7-acetyl-8-hydroxy-6-methyl-1,4-dioxo-7,8-dihydronaphthalen-2-yl]-8-hydroxy-6-methylnaphthalene-1,4-dione")
| 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 | 97.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.73% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.57% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.50% | 94.42% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.29% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.79% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.67% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.44% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.01% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.51% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.40% | 97.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.24% | 96.90% |
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.
| Dianella revoluta |
| PubChem | 163193747 |
| LOTUS | LTS0203546 |
| wikiData | Q105260529 |