(E)-3,7-dimethylocta-2,6-dienyl octanoate
| Internal ID | 79c6b269-66f4-4c85-96c9-ad66c5812912 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | 3,7-dimethylocta-2,6-dienyl octanoate |
| SMILES (Canonical) | CCCCCCCC(=O)OCC=C(C)CCC=C(C)C |
| SMILES (Isomeric) | CCCCCCCC(=O)OCC=C(C)CCC=C(C)C |
| InChI | InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3 |
| InChI Key | YYBMOGCOPQVSLQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H32O2 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.50 |
| 3,7-Dimethylocta-2,6-dien-1-yl octanoate |
| (E)-3,7-dimethylocta-2,6-dienyl octanoate |
| FT-0626659 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 99.37% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.79% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.10% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.91% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.62% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.00% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.74% | 94.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.68% | 98.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.65% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.61% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.12% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.91% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.29% | 89.63% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.05% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.56% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.37% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.98% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.62% | 92.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.22% | 82.50% |
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.
| Palafoxia arida |
| PubChem | 103895 |
| LOTUS | LTS0135329 |
| wikiData | Q105368374 |