(E,9S)-9-acetyloxyoctadec-10-en-12,14-diynoic acid
| Internal ID | cf2865bf-28d3-44b5-938e-5a9044fa463a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (E,9S)-9-acetyloxyoctadec-10-en-12,14-diynoic acid |
| SMILES (Canonical) | CCCC#CC#CC=CC(CCCCCCCC(=O)O)OC(=O)C |
| SMILES (Isomeric) | CCCC#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(=O)C |
| InChI | InChI=1S/C20H28O4/c1-3-4-5-6-7-9-12-15-19(24-18(2)21)16-13-10-8-11-14-17-20(22)23/h12,15,19H,3-4,8,10-11,13-14,16-17H2,1-2H3,(H,22,23)/b15-12+/t19-/m1/s1 |
| InChI Key | UCYICOKKUVBVNZ-LBKOFNPBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.45% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.26% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.32% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.41% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.65% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.84% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.01% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.65% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.49% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.95% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.31% | 83.82% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.94% | 95.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.82% | 96.38% |
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.
| Inulanthera dregeana |
| Inulanthera tridens |
| PubChem | 162995706 |
| LOTUS | LTS0188972 |
| wikiData | Q105270225 |