3-(2,4-dimethylhex-5-enoyl)-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one
| Internal ID | ba309d60-4208-44b5-88aa-829362084413 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 3-(2,4-dimethylhex-5-enoyl)-2-hydroxy-5,6-dimethoxy-1H-pyridin-4-one |
| SMILES (Canonical) | CC(CC(C)C(=O)C1=C(NC(=C(C1=O)OC)OC)O)C=C |
| SMILES (Isomeric) | CC(CC(C)C(=O)C1=C(NC(=C(C1=O)OC)OC)O)C=C |
| InChI | InChI=1S/C15H21NO5/c1-6-8(2)7-9(3)11(17)10-12(18)13(20-4)15(21-5)16-14(10)19/h6,8-9H,1,7H2,2-5H3,(H2,16,18,19) |
| InChI Key | IKKLAGFAACTQOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.33 g/mol |
| Exact Mass | 295.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 84.90 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.05% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.81% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.32% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.23% | 94.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.99% | 92.88% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.40% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.39% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.96% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.25% | 85.14% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.51% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.01% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 42636930 |
| LOTUS | LTS0092509 |
| wikiData | Q77483539 |