2-[(1E,3R)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-1-methylquinolin-4-one
| Internal ID | d9492c1e-2c17-4f94-a9fc-7c019239162e |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-[(1E,3R)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-1-methylquinolin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H25NO2/c1-15(2)8-7-12-20(3,23)13-11-16-14-19(22)17-9-5-6-10-18(17)21(16)4/h5-6,8-11,13-14,23H,7,12H2,1-4H3/b13-11+/t20-/m1/s1 |
| InChI Key | VUAZVPWKLXTCMY-VSFZPWCASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H25NO2 |
| Molecular Weight | 311.40 g/mol |
| Exact Mass | 311.188529040 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 2-[(1E,3R)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-1-methylquinolin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-1e3r-3-hydroxy-37-dimethylocta-16-dienyl-1-methylquinolin-4-one.jpg "2D Structure of 2-[(1E,3R)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-1-methylquinolin-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 | 98.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.74% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.95% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.66% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.93% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.75% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.51% | 91.11% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.45% | 93.65% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 89.71% | 95.52% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.79% | 85.14% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.72% | 85.94% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.01% | 80.78% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.70% | 98.59% |
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.
| There are no matching plants. |
| PubChem | 162901115 |
| LOTUS | LTS0073546 |
| wikiData | Q105293149 |