3-methoxy-2-(12-oxotridecyl)-1H-quinolin-4-one
| Internal ID | 1d4323a6-b074-4ecc-912b-40f2857aee4e |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 3-methoxy-2-(12-oxotridecyl)-1H-quinolin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H33NO3/c1-18(25)14-10-8-6-4-3-5-7-9-11-17-21-23(27-2)22(26)19-15-12-13-16-20(19)24-21/h12-13,15-16H,3-11,14,17H2,1-2H3,(H,24,26) |
| InChI Key | BCBKLCYXAVRVRC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.50 g/mol |
| Exact Mass | 371.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 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 | 99.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.22% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.40% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.20% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.17% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.17% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.49% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.13% | 94.75% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.87% | 87.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.58% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.17% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.06% | 85.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.97% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.70% | 96.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 80.87% | 95.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.77% | 94.62% |
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 | 90872051 |
| LOTUS | LTS0082475 |
| wikiData | Q103816635 |