Butyl 3-hydroxybutanoate
| Internal ID | 7cfa7de2-e1bc-465a-936b-5d14720bfd5b |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | butyl 3-hydroxybutanoate |
| SMILES (Canonical) | CCCCOC(=O)CC(C)O |
| SMILES (Isomeric) | CCCCOC(=O)CC(C)O |
| InChI | InChI=1S/C8H16O3/c1-3-4-5-11-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3 |
| InChI Key | LHDWRKCOQQHAMP-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.21 g/mol |
| Exact Mass | 160.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.00 |
| Butyl 3-hydroxybutyrate |
| 53605-94-0 |
| Butanoic acid, 3-hydroxy-, butyl ester |
| 3-Hydroxybutyric acid butyl ester |
| EINECS 258-658-1 |
| AI3-04198 |
| Butyl 3-hydroxybutanoate # |
| SCHEMBL1455543 |
| DTXSID20886065 |
| LHDWRKCOQQHAMP-UHFFFAOYSA-N |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.91% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.79% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.89% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.52% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.11% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.87% | 96.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.67% | 82.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.17% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.01% | 85.94% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.17% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.62% | 93.56% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 81.46% | 89.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.19% | 90.71% |
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.
| Vasconcellea pubescens |
| PubChem | 103808 |
| LOTUS | LTS0216126 |
| wikiData | Q20878980 |