3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
| Internal ID | 508dd164-57c3-4213-8918-5bfbe8d3ddbf |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroxyquinolones |
| IUPAC Name | 3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H19NO4/c1-16(2)13(21-16)8-11-14(18)10-6-5-9(20-4)7-12(10)17(3)15(11)19/h5-7,13,18H,8H2,1-4H3/t13-/m1/s1 |
| InChI Key | STGARIOMBWEGBP-CYBMUJFWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.33 g/mol |
| Exact Mass | 289.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 62.30 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-2r-33-dimethyloxiran-2-ylmethyl-4-hydroxy-7-methoxy-1-methylquinolin-2-one.jpg "2D Structure of 3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.88% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.29% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.10% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.37% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.59% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.10% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.41% | 94.42% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.11% | 86.92% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.38% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.54% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.34% | 93.99% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.74% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.04% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.76% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.66% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.62% | 98.59% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.85% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.58% | 94.73% |
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.
| Zanthoxylum asiaticum |
| PubChem | 162941501 |
| LOTUS | LTS0230224 |
| wikiData | Q105260237 |