6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one
| Internal ID | f9b566ed-cd78-4973-8606-25eaae25f8f8 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Hydroxyquinolines |
| IUPAC Name | 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one |
| SMILES (Canonical) | CC(C)(CCC1=CC(=O)C2=C(N1)C=CC(=C2)O)O |
| SMILES (Isomeric) | CC(C)(CCC1=CC(=O)C2=C(N1)C=CC(=C2)O)O |
| InChI | InChI=1S/C14H17NO3/c1-14(2,18)6-5-9-7-13(17)11-8-10(16)3-4-12(11)15-9/h3-4,7-8,16,18H,5-6H2,1-2H3,(H,15,17) |
| InChI Key | ZMLVZOLWYXOOAB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.29 g/mol |
| Exact Mass | 247.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.80 |
| 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 | 97.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.53% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.71% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.40% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.47% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.76% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.12% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.69% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.01% | 93.31% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.30% | 98.59% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.03% | 90.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.70% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.21% | 93.99% |
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 | 91528975 |
| LOTUS | LTS0041182 |
| wikiData | Q104202569 |