2-(10-hydroxy-10-methyldodecyl)-3-methoxy-1H-quinolin-4-one
| Internal ID | 27cab4f5-ed7d-44b1-9e12-655793be97b0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-(10-hydroxy-10-methyldodecyl)-3-methoxy-1H-quinolin-4-one |
| SMILES (Canonical) | CCC(C)(CCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O |
| SMILES (Isomeric) | CCC(C)(CCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)OC)O |
| InChI | InChI=1S/C23H35NO3/c1-4-23(2,26)17-13-9-7-5-6-8-10-16-20-22(27-3)21(25)18-14-11-12-15-19(18)24-20/h11-12,14-15,26H,4-10,13,16-17H2,1-3H3,(H,24,25) |
| InChI Key | HABOQMMTJQWRIU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H35NO3 |
| Molecular Weight | 373.50 g/mol |
| Exact Mass | 373.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 6.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.39% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.47% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.00% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.75% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.73% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.74% | 92.68% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.52% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.29% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.08% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.91% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.78% | 86.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.30% | 87.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.98% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.77% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.67% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.84% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.44% | 95.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.79% | 85.94% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.77% | 90.08% |
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.
| Sohnreyia excelsa |
| PubChem | 90848757 |
| LOTUS | LTS0120034 |
| wikiData | Q104167647 |