8-hydroxy-2-(8-hydroxy-6-methyl-1-oxo-4H-naphthalen-2-yl)-6-methylnaphthalene-1,4-dione
| Internal ID | 1006ac48-ece8-4d6e-9571-51de89ed94dc |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 8-hydroxy-2-(8-hydroxy-6-methyl-1-oxo-4H-naphthalen-2-yl)-6-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C(=CC2)C3=CC(=O)C4=C(C3=O)C(=CC(=C4)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C(=CC2)C3=CC(=O)C4=C(C3=O)C(=CC(=C4)C)O |
| InChI | InChI=1S/C22H16O5/c1-10-5-12-3-4-13(21(26)19(12)17(24)7-10)14-9-16(23)15-6-11(2)8-18(25)20(15)22(14)27/h4-9,24-25H,3H2,1-2H3 |
| InChI Key | UNGWRLCDAYTQQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H16O5 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 4.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.26% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.09% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.08% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.45% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.76% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.72% | 93.03% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.25% | 96.21% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.13% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.89% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.60% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.89% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.44% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.08% | 96.09% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.80% | 96.67% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.45% | 96.38% |
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.
| Euclea pseudebenus |
| PubChem | 162916396 |
| LOTUS | LTS0024604 |
| wikiData | Q105275971 |