6-(1,8-Dihydroxy-6-methylnaphthalen-2-yl)-5-hydroxy-2-methylnaphthalene-1,4-dione
| Internal ID | b682c320-4892-4458-9b4e-596564ad2bb1 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 6-(1,8-dihydroxy-6-methylnaphthalen-2-yl)-5-hydroxy-2-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CC4=O)C)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CC4=O)C)O)O |
| InChI | InChI=1S/C22H16O5/c1-10-7-12-3-4-13(21(26)18(12)16(23)8-10)14-5-6-15-19(22(14)27)17(24)9-11(2)20(15)25/h3-9,23,26-27H,1-2H3 |
| InChI Key | AUDXGGMYRPKMIO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H16O5 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 5.10 |
| 93236-43-2 |
| 1,1',8'-Trihydroxy-6,6'-dimethyl[2,2'-binaphthalene]-5,8-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.70% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.27% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.90% | 91.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.65% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.67% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.95% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.62% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.78% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.70% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.19% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.67% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.71% | 93.03% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.51% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.47% | 86.33% |
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 ebenum |
| PubChem | 86103922 |
| LOTUS | LTS0193873 |
| wikiData | Q104918862 |