12-Octadecenoic acid, 9-oxo-, (12Z)-
| Internal ID | be239f4e-06f0-4a01-b802-323de42763b0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | (Z)-9-oxooctadec-12-enoic acid |
| SMILES (Canonical) | CCCCCC=CCCC(=O)CCCCCCCC(=O)O |
| SMILES (Isomeric) | CCCCC/C=C\CCC(=O)CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6- |
| InChI Key | BKJBXNYJVJPQLE-VURMDHGXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H32O3 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 5.00 |
| YVX11W8196 |
| 9-Oxo-12c-Octadecensaeure |
| 9-Oxo-12-octadecenoic acid, (12Z)- |
| 9-Oxo-12c-Octadecenoic acid |
| 9-oxo-12Z-Octadecenoic acid |
| UNII-YVX11W8196 |
| 9-Keto-Z-12-Octadecensaeure |
| 9-Keto-Z-12-Octadecenoic acid |
| 112543-32-5 |
| 9-oxo-cis-12-octadecenoic 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.13% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.06% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.77% | 89.63% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 93.36% | 97.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.04% | 90.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.46% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.60% | 96.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.06% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.06% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.40% | 93.56% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 81.94% | 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.
| Ipomoea nil |
| Plantago ovata |
| PubChem | 14289305 |
| LOTUS | LTS0111659 |
| wikiData | Q76423707 |