5-Hydroxy-3,6-dimethoxy-2-methylnaphthalene-1,4-dione
| Internal ID | 79b2070b-8a02-4212-9964-f21b1bb947b2 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 5-hydroxy-3,6-dimethoxy-2-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=O)C2=C(C1=O)C=CC(=C2O)OC)OC |
| SMILES (Isomeric) | CC1=C(C(=O)C2=C(C1=O)C=CC(=C2O)OC)OC |
| InChI | InChI=1S/C13H12O5/c1-6-10(14)7-4-5-8(17-2)11(15)9(7)12(16)13(6)18-3/h4-5,15H,1-3H3 |
| InChI Key | WBIIXLONAPDMOO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.23 g/mol |
| Exact Mass | 248.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.60% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.32% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.28% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.19% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.98% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.49% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.34% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.09% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.99% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.92% | 94.73% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.08% | 98.21% |
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.
| Aloe secundiflora |
| PubChem | 163052305 |
| LOTUS | LTS0074092 |
| wikiData | Q105300775 |