2-(10-hydroxy-10-methyldodecyl)-3-methoxy-3H-quinolin-4-one
| Internal ID | ce375555-459e-4578-8a8d-ab035f44ed46 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Hydroquinolines |
| IUPAC Name | 2-(10-hydroxy-10-methyldodecyl)-3-methoxy-3H-quinolin-4-one |
| SMILES (Canonical) | CCC(C)(CCCCCCCCCC1=NC2=CC=CC=C2C(=O)C1OC)O |
| SMILES (Isomeric) | CCC(C)(CCCCCCCCCC1=NC2=CC=CC=C2C(=O)C1OC)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/h11-12,14-15,22,26H,4-10,13,16-17H2,1-3H3 |
| InChI Key | KLSGACZJSYZKOU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H35NO3 |
| Molecular Weight | 373.50 g/mol |
| Exact Mass | 373.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 5.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.53% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.32% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.87% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.00% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.70% | 91.11% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.21% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.94% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.60% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.10% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.72% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.71% | 99.23% |
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 | 86066329 |
| LOTUS | LTS0177705 |
| wikiData | Q105142796 |