10-Oxooctadecanoic acid
| Internal ID | de488d9b-73a9-437f-8cbb-512767b506f8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 10-oxooctadecanoic acid |
| SMILES (Canonical) | CCCCCCCCC(=O)CCCCCCCCC(=O)O |
| SMILES (Isomeric) | CCCCCCCCC(=O)CCCCCCCCC(=O)O |
| InChI | InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21) |
| InChI Key | BGKROBBCCGUUCF-UHFFFAOYSA-N |
| Popularity | 88 references in papers |
| Molecular Formula | C18H34O3 |
| Molecular Weight | 298.50 g/mol |
| Exact Mass | 298.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 6.00 |
| 4158-12-7 |
| 10-ketostearic acid |
| Octadecanoic acid, 10-oxo- |
| 10-oxo-octadecanoic acid |
| 10-keto stearic acid |
| NSC625425 |
| 10-Oxostearic acid |
| 10-Oxooctadecanoicacid |
| SCHEMBL2968739 |
| CHEMBL1994343 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.07% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.86% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.88% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.29% | 89.63% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.95% | 83.82% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.82% | 97.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.08% | 85.94% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 85.85% | 92.26% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.90% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.86% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.66% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.18% | 95.17% |
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.
| Aloe ferox |
| Galeopsis bifida |
| PubChem | 361941 |
| LOTUS | LTS0198554 |
| wikiData | Q27462127 |