2-(12-hydroxy-12-methyltridecyl)-1H-quinolin-4-one
| Internal ID | a34e9cd5-dfab-4cd2-818d-28a555c4e6f0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-(12-hydroxy-12-methyltridecyl)-1H-quinolin-4-one |
| SMILES (Canonical) | CC(C)(CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1)O |
| SMILES (Isomeric) | CC(C)(CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1)O |
| InChI | InChI=1S/C23H35NO2/c1-23(2,26)17-13-9-7-5-3-4-6-8-10-14-19-18-22(25)20-15-11-12-16-21(20)24-19/h11-12,15-16,18,26H,3-10,13-14,17H2,1-2H3,(H,24,25) |
| InChI Key | MYMYSGUFPZXICQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H35NO2 |
| Molecular Weight | 357.50 g/mol |
| Exact Mass | 357.266779359 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 6.60 |
| 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 | 98.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.06% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.69% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.19% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.76% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.94% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.49% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.45% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.18% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.59% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.19% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.36% | 94.75% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.94% | 87.45% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.51% | 97.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.44% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.92% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.49% | 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.
| Dictyoloma vandellianum |
| PubChem | 90858764 |
| LOTUS | LTS0113319 |
| wikiData | Q104172174 |