3,3'-Bisjuglone
| Internal ID | 835fd46e-3d22-4f22-a923-3f59fc9a17a2 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 8-hydroxy-2-(8-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione |
| SMILES (Canonical) | C1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O |
| InChI | InChI=1S/C20H10O6/c21-13-5-1-3-9-15(23)7-11(19(25)17(9)13)12-8-16(24)10-4-2-6-14(22)18(10)20(12)26/h1-8,21-22H |
| InChI Key | YSWLZVWSHJYBPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H10O6 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.04773803 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.00 |
| 61836-43-9 |
| NSC 313173 |
| 8,8'-Dihydroxy(2,2'-binaphthalene)-1,1',4,4'-tetrone |
| 3,3'-Bijuglone |
| 8,8'-Dihydroxy[2,2'-binaphthalene]-1,1',4,4'-tetrone |
| NSC313173 |
| 8-hydroxy-2-(8-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione |
| DTXSID50317236 |
| CHEBI:178128 |
| NSC-313173 |
| 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 | 96.65% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.93% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.13% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.43% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.37% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.13% | 96.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.36% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.00% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.24% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.51% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.26% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.55% | 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.
| Juglans regia |
| PubChem | 329584 |
| LOTUS | LTS0243358 |
| wikiData | Q82071837 |