2-(1-Butoxy-1-oxopropan-2-yl)oct-2-enoic acid
| Internal ID | 6dcd210c-cce0-45f3-9d36-017521aa7e2f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 2-(1-butoxy-1-oxopropan-2-yl)oct-2-enoic acid |
| SMILES (Canonical) | CCCCCC=C(C(C)C(=O)OCCCC)C(=O)O |
| SMILES (Isomeric) | CCCCCC=C(C(C)C(=O)OCCCC)C(=O)O |
| InChI | InChI=1S/C15H26O4/c1-4-6-8-9-10-13(14(16)17)12(3)15(18)19-11-7-5-2/h10,12H,4-9,11H2,1-3H3,(H,16,17) |
| InChI Key | UXSBDLGBRCAVHW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.11% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.57% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.19% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.78% | 97.29% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.84% | 87.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.15% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.80% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.32% | 96.47% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 89.28% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.94% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.94% | 93.31% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.38% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.98% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.70% | 85.94% |
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.
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| There are no matching plants. |
| PubChem | 163064166 |
| LOTUS | LTS0128769 |
| wikiData | Q104199044 |