Burkholone
| Internal ID | da42c67b-c96b-4297-81d3-26996b5407d1 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 3-methyl-2-[(E)-oct-2-enyl]-1H-quinolin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H23NO/c1-3-4-5-6-7-8-12-16-14(2)18(20)15-11-9-10-13-17(15)19-16/h7-11,13H,3-6,12H2,1-2H3,(H,19,20)/b8-7+ |
| InChI Key | HROARYQHAQCVQN-BQYQJAHWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H23NO |
| Molecular Weight | 269.40 g/mol |
| Exact Mass | 269.177964357 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 5.30 |
| CHEMBL4753618 |
| SCHEMBL17867108 |
| 3-methyl-2-[(E)-oct-2-enyl]-1H-quinolin-4-one |
| 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 | 98.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.64% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.47% | 92.08% |
| CHEMBL240 | Q12809 | HERG | 93.10% | 89.76% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.90% | 97.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.54% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.13% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.88% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.40% | 90.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.13% | 91.81% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.99% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.33% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.08% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.52% | 88.56% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.58% | 85.00% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 81.89% | 85.40% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.40% | 93.31% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.74% | 92.51% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.16% | 98.59% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 24740400 |
| LOTUS | LTS0223522 |
| wikiData | Q105032751 |