Methyl 19-oxooctacos-22-enoate
| Internal ID | e91ddd3c-363f-4826-8ca0-0307477d4deb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl 19-oxooctacos-22-enoate |
| SMILES (Canonical) | CCCCCC=CCCC(=O)CCCCCCCCCCCCCCCCCC(=O)OC |
| SMILES (Isomeric) | CCCCCC=CCCC(=O)CCCCCCCCCCCCCCCCCC(=O)OC |
| InChI | InChI=1S/C29H54O3/c1-3-4-5-6-16-19-22-25-28(30)26-23-20-17-14-12-10-8-7-9-11-13-15-18-21-24-27-29(31)32-2/h16,19H,3-15,17-18,20-27H2,1-2H3 |
| InChI Key | RYRXKHYLJCWJPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H54O3 |
| Molecular Weight | 450.70 g/mol |
| Exact Mass | 450.40729558 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 10.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.59% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.19% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.13% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.81% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.42% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.15% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.11% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.27% | 94.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.84% | 97.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.55% | 89.34% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.91% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.22% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.92% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.79% | 98.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.52% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.42% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.35% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.30% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.00% | 95.17% |
| CHEMBL240 | Q12809 | HERG | 80.78% | 89.76% |
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.
| Cuspidaria convoluta |
| PubChem | 162866440 |
| LOTUS | LTS0062163 |
| wikiData | Q105248047 |