9-OxoODE
| Internal ID | b0b8724d-b888-4f2e-999e-1d404e108d06 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | (10E,12Z)-9-oxooctadeca-10,12-dienoic acid |
| SMILES (Canonical) | CCCCCC=CC=CC(=O)CCCCCCCC(=O)O |
| SMILES (Isomeric) | CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+ |
| InChI Key | LUZSWWYKKLTDHU-ZJHFMPGASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H30O3 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 5.20 |
| 9-KODE |
| (10E,12Z)-9-Oxooctadeca-10,12-dienoic acid |
| 9-Oxo-ODE |
| 9-Oxo-10(E),12(Z)-octadecadienoic acid |
| 54232-59-6 |
| 9-oxo-10E,12Z-octadecadienoic acid |
| (10E,12Z)-9-Oxooctadeca-10,12-dienoate |
| (10E,12Z)9-oxoODE |
| 9-oxo-10E,12Z-ODE |
| SCHEMBL2564379 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.19% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.97% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.86% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.31% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 91.03% | 97.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.30% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.12% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.57% | 91.11% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.96% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.60% | 97.29% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 81.31% | 92.26% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.17% | 89.34% |
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.
| Capsicum annuum |
| Glycine max |
| PubChem | 9839084 |
| LOTUS | LTS0234286 |
| wikiData | Q27140183 |