[(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl] acetate
| Internal ID | cddcd2b2-d09c-49ac-9fd0-9beae82fc7de |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | [(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(CC1=C(C2=CC=CC=C2N(C1=O)C)OC)C(C)(C)O |
| SMILES (Isomeric) | CC(=O)O[C@@H](CC1=C(C2=CC=CC=C2N(C1=O)C)OC)C(C)(C)O |
| InChI | InChI=1S/C18H23NO5/c1-11(20)24-15(18(2,3)22)10-13-16(23-5)12-8-6-7-9-14(12)19(4)17(13)21/h6-9,15,22H,10H2,1-5H3/t15-/m0/s1 |
| InChI Key | IWTBBJIDCIJISG-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO5 |
| Molecular Weight | 333.40 g/mol |
| Exact Mass | 333.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-methylbutan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-hydroxy-1-4-methoxy-1-methyl-2-oxoquinolin-3-yl-3-methylbutan-2-yl-acetate.jpg "2D Structure of [(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.83% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.86% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.70% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.90% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.24% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.44% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.93% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.60% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.44% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.89% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.74% | 99.23% |
| CHEMBL240 | Q12809 | HERG | 81.69% | 89.76% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.15% | 80.78% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.65% | 92.68% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.40% | 98.75% |
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.
| Skimmia laureola |
| PubChem | 10592757 |
| LOTUS | LTS0074279 |
| wikiData | Q105121855 |