3-Acetyl-5-hydroxy-7-methoxy-2-methyl-1,4-naphthoquinone
| Internal ID | 3cd954bc-c2be-4b67-b062-7e4bf4dd292e |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 3-acetyl-5-hydroxy-7-methoxy-2-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H12O5/c1-6-11(7(2)15)14(18)12-9(13(6)17)4-8(19-3)5-10(12)16/h4-5,16H,1-3H3 |
| InChI Key | GBEJSKTVOVIDMP-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H12O5 |
| Molecular Weight | 260.24 g/mol |
| Exact Mass | 260.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 1.90 |
| 3-acetyl-5-hydroxy-7-methoxy-2-methyl-1,4-naphthoquinone |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.44% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.86% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.97% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.74% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.80% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.80% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.33% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.39% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.10% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.48% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.46% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.19% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.99% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.62% | 93.65% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.56% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.42% | 99.17% |
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.
| Berchemia discolor |
| PubChem | 67877406 |
| LOTUS | LTS0071108 |
| wikiData | Q105005804 |