5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone
| Internal ID | de65a6cd-2be7-4f42-aa9d-60f65378afe1 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 5-hydroxy-2,3-dimethylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C |
| SMILES (Isomeric) | CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)C |
| InChI | InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3 |
| InChI Key | WBPHCLSNRLPSPK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.21 g/mol |
| Exact Mass | 202.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 2.70 |
| 80596-51-6 |
| 3-Methylplumbagin |
| SCHEMBL5793791 |
| CHEBI:173556 |
| DTXSID001272658 |
| 5-hydroxy-2,3-dimethyl-[1,4]naphthoquinone |
| 5-HYDROXY-2,3-DIMETHYLNAPHTHALENE-1,4-DIONE |
| 5-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.59% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.20% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.96% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.60% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.57% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.63% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.57% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.24% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.73% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.39% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.38% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.13% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.11% | 98.75% |
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 maritima |
| Juglans regia |
| PubChem | 10821969 |
| LOTUS | LTS0234388 |
| wikiData | Q105300891 |