[2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl-
| Internal ID | b11d047d-62a2-4139-aae0-7e9b0f31064a |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 5-hydroxy-2-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=CC(=O)C4=C(C3=O)C=C(C=C4O)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=CC(=O)C4=C(C3=O)C=C(C=C4O)C |
| InChI | InChI=1S/C22H14O6/c1-9-3-13-19(15(23)5-9)17(25)7-11(21(13)27)12-8-18(26)20-14(22(12)28)4-10(2)6-16(20)24/h3-8,23-24H,1-2H3 |
| InChI Key | WZWDIPBLRMIRHM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H14O6 |
| Molecular Weight | 374.30 g/mol |
| Exact Mass | 374.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.70 |
| 24456-79-9 |
| SCHEMBL11919738 |
| DTXSID80348230 |
| WZWDIPBLRMIRHM-UHFFFAOYSA-N |
| 5,5'-Dihydroxy-7,7'-dimethyl-2,2'-binaphthalene-1,1',4,4'-tetrone |
![2D Structure of [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl-](https://plantaedb.com/storage/docs/compounds/2023/11/22-binaphthalene-1144-tetrone-55-dihydroxy-77-dimethyl-.jpg "2D Structure of [2,2'-Binaphthalene]-1,1',4,4'-tetrone, 5,5'-dihydroxy-7,7'-dimethyl-")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.37% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.23% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.74% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.96% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.87% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.89% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.60% | 96.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.34% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.54% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.30% | 90.71% |
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.
| Diospyros batocana |
| Diospyros chamaethamnus |
| Diospyros melanoxylon |
| Diospyros montana |
| Drosera ramentacea |
| PubChem | 633060 |
| LOTUS | LTS0122130 |
| wikiData | Q82122890 |