[(1R,5R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2R)-2-methylbutanoate
| Internal ID | 0422f17a-e26a-4076-88af-adef16b1440d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > M-benzoquinones |
| IUPAC Name | [(1R,5R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2R)-2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1(C(=O)C=C(C(C1=O)C)OC)C |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)O[C@@]1(C(=O)C=C([C@H](C1=O)C)OC)C |
| InChI | InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-9H,6H2,1-5H3/t8-,9-,14-/m1/s1 |
| InChI Key | WDHSIBDVOVMUBZ-RFXMVYNHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H20O5 |
| Molecular Weight | 268.30 g/mol |
| Exact Mass | 268.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [(1R,5R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2R)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r5r-4-methoxy-15-dimethyl-26-dioxocyclohex-3-en-1-yl-2r-2-methylbutanoate.jpg "2D Structure of [(1R,5R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2R)-2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.11% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.59% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.30% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.27% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.13% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.89% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.48% | 85.30% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.25% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.96% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.70% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.03% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162892897 |
| LOTUS | LTS0199316 |
| wikiData | Q105302375 |