14-Hydroxy-9-oxooctadeca-10,12-dienoic acid
| Internal ID | 494c46db-a289-419b-8703-bd14ebb02cd5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | 14-hydroxy-9-oxooctadeca-10,12-dienoic acid |
| SMILES (Canonical) | CCCCC(C=CC=CC(=O)CCCCCCCC(=O)O)O |
| SMILES (Isomeric) | CCCCC(C=CC=CC(=O)CCCCCCCC(=O)O)O |
| InChI | InChI=1S/C18H30O4/c1-2-3-11-16(19)13-9-10-14-17(20)12-7-5-4-6-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22) |
| InChI Key | GDCBVHSUEZTUIW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O4 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.54% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.48% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.06% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.75% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.35% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.28% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.40% | 91.11% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.87% | 96.00% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 86.00% | 97.34% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.97% | 91.81% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 84.46% | 92.26% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.43% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.08% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.76% | 93.31% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.61% | 92.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.16% | 96.47% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.06% | 97.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.96% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.80% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.64% | 83.82% |
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.
| Melia azedarach |
| PubChem | 73236260 |
| LOTUS | LTS0203873 |
| wikiData | Q104167065 |