[(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-8-yl)oxy-3-methylbutan-2-yl] acetate
| Internal ID | 4470f271-3527-45eb-8401-7a9233840d54 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | [(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-8-yl)oxy-3-methylbutan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)C(C)(C)O |
| SMILES (Isomeric) | CC(=O)O[C@@H](COC1=CC=CC2=C1N(C(=O)C=C2OC)C)C(C)(C)O |
| InChI | InChI=1S/C18H23NO6/c1-11(20)25-15(18(2,3)22)10-24-13-8-6-7-12-14(23-5)9-16(21)19(4)17(12)13/h6-9,15,22H,10H2,1-5H3/t15-/m0/s1 |
| InChI Key | GBCUENSCBFXORP-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO6 |
| Molecular Weight | 349.40 g/mol |
| Exact Mass | 349.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-8-yl)oxy-3-methylbutan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-hydroxy-1-4-methoxy-1-methyl-2-oxoquinolin-8-yloxy-3-methylbutan-2-yl-acetate.jpg "2D Structure of [(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-8-yl)oxy-3-methylbutan-2-yl] acetate")
| 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 | 99.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.27% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.78% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.61% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.41% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.39% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.54% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.13% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.40% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.22% | 97.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.20% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.88% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.03% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.76% | 97.25% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.45% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.65% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.53% | 93.31% |
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.
| Haplophyllum griffithianum |
| PubChem | 92139157 |
| LOTUS | LTS0235400 |
| wikiData | Q105005772 |