CID 139591640
| Internal ID | bb33b468-6cb9-4ca4-b7fe-a3dd500831c6 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-(2,3-dihydroxypentan-2-yl)-3-ethylpyran-2-one |
| SMILES (Canonical) | CCC1=CC=C(OC1=O)C(C)(C(CC)O)O |
| SMILES (Isomeric) | CCC1=CC=C(OC1=O)C(C)(C(CC)O)O |
| InChI | InChI=1S/C12H18O4/c1-4-8-6-7-10(16-11(8)14)12(3,15)9(13)5-2/h6-7,9,13,15H,4-5H2,1-3H3 |
| InChI Key | VNKYTWPVKUBULZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.27 g/mol |
| Exact Mass | 226.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.84% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.75% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.00% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.23% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.89% | 95.56% |
| CHEMBL3232685 | O00257 | E3 SUMO-protein ligase CBX4 | 83.11% | 93.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 80.58% | 95.39% |
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.
| There are no matching plants. |
| PubChem | 139591640 |
| LOTUS | LTS0066644 |
| wikiData | Q104199622 |