2-Butoxyethyl octadeca-9,12-dienoate
| Internal ID | ef65a81d-5215-42f5-b27d-f18bf86cd53f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | 2-butoxyethyl octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)OCCOCCCC |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)OCCOCCCC |
| InChI | InChI=1S/C24H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h9-10,12-13H,3-8,11,14-23H2,1-2H3 |
| InChI Key | HOPWAAYGPGJTDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H44O3 |
| Molecular Weight | 380.60 g/mol |
| Exact Mass | 380.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 8.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.80% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.22% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.90% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.21% | 92.08% |
| CHEMBL240 | Q12809 | HERG | 90.96% | 89.76% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.23% | 97.29% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 87.04% | 90.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.98% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.28% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.78% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.48% | 92.50% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 84.95% | 86.67% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.59% | 97.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.44% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.28% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.54% | 92.86% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.47% | 96.37% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.04% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.46% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.03% | 100.00% |
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.
| Bidens pilosa |
| PubChem | 53888177 |
| LOTUS | LTS0083074 |
| wikiData | Q105031473 |