5-Oxooctanoic acid
| Internal ID | 3b0971db-4b55-479c-b4d4-b9e177314c38 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 5-oxooctanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2-6H2,1H3,(H,10,11) |
| InChI Key | OHGVWVVPDOAZSH-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.19 g/mol |
| Exact Mass | 158.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 0.60 |
| 3637-14-7 |
| Octanoic acid, 5-oxo- |
| FEMA No. 4455 |
| NSC-131619 |
| 6ID3A8OXKR |
| DTXSID90189893 |
| RefChem:537609 |
| DTXCID50112384 |
| 5-oxo-octanoic acid |
| 5-Keto-n-caprylic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.90% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.26% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.34% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.79% | 97.00% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 80.04% | 92.26% |
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.
| Sarracenia flava |
| PubChem | 280190 |
| LOTUS | LTS0073215 |
| wikiData | Q27264953 |