2-[(14S)-14-hydroxy-14,15-dimethylhexadecyl]-1H-quinolin-4-one
| Internal ID | db97fb37-338f-4db0-b187-6d267437a2e6 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-[(14S)-14-hydroxy-14,15-dimethylhexadecyl]-1H-quinolin-4-one |
| SMILES (Canonical) | CC(C)C(C)(CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1)O |
| SMILES (Isomeric) | CC(C)[C@](C)(CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1)O |
| InChI | InChI=1S/C27H43NO2/c1-22(2)27(3,30)20-16-12-10-8-6-4-5-7-9-11-13-17-23-21-26(29)24-18-14-15-19-25(24)28-23/h14-15,18-19,21-22,30H,4-13,16-17,20H2,1-3H3,(H,28,29)/t27-/m0/s1 |
| InChI Key | YWFRYNMHYMAQLJ-MHZLTWQESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H43NO2 |
| Molecular Weight | 413.60 g/mol |
| Exact Mass | 413.329379614 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of 2-[(14S)-14-hydroxy-14,15-dimethylhexadecyl]-1H-quinolin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-14s-14-hydroxy-1415-dimethylhexadecyl-1h-quinolin-4-one.jpg "2D Structure of 2-[(14S)-14-hydroxy-14,15-dimethylhexadecyl]-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 | 99.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.82% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.78% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.60% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.34% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.64% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.65% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.35% | 91.71% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.26% | 87.45% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.04% | 85.31% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.49% | 98.59% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.26% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.24% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.58% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.89% | 85.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.83% | 92.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.02% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.73% | 96.37% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.05% | 99.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.67% | 97.00% |
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 | 163187169 |
| LOTUS | LTS0078881 |
| wikiData | Q105366509 |