5-Hydroxy-2-propoxynaphthalene-1,4-dione
| Internal ID | 1210be49-980d-40fb-afa7-58013f1e201c |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 5-hydroxy-2-propoxynaphthalene-1,4-dione |
| SMILES (Canonical) | CCCOC1=CC(=O)C2=C(C1=O)C=CC=C2O |
| SMILES (Isomeric) | CCCOC1=CC(=O)C2=C(C1=O)C=CC=C2O |
| InChI | InChI=1S/C13H12O4/c1-2-6-17-11-7-10(15)12-8(13(11)16)4-3-5-9(12)14/h3-5,7,14H,2,6H2,1H3 |
| InChI Key | KZSKVPAVMVUJQM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.23 g/mol |
| Exact Mass | 232.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.70 |
| 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 | 99.02% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.79% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.69% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.99% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.06% | 94.73% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.43% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.44% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.56% | 94.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.97% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.47% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.11% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.09% | 80.78% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.41% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.02% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.95% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.66% | 99.17% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 80.74% | 91.23% |
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 | 162848095 |
| LOTUS | LTS0222250 |
| wikiData | Q105148416 |