Octyl octanoate
| Internal ID | d1d3d89a-17d1-4103-bfac-4596d9300220 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | octyl octanoate |
| SMILES (Canonical) | CCCCCCCCOC(=O)CCCCCCC |
| SMILES (Isomeric) | CCCCCCCCOC(=O)CCCCCCC |
| InChI | InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3 |
| InChI Key | DJNTZVRUYMHBTD-UHFFFAOYSA-N |
| Popularity | 87 references in papers |
| Molecular Formula | C16H32O2 |
| Molecular Weight | 256.42 g/mol |
| Exact Mass | 256.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.50 |
| Octyl caprylate |
| 2306-88-9 |
| n-Octyl caprylate |
| Octanoic acid, octyl ester |
| Octyl octylate |
| caprylyl caprylate |
| FEMA No. 2811 |
| Fema 2811 |
| MM00XO86JQ |
| OCTANOIC ACID OCTYL ESTER |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.91% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.96% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.74% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.37% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.20% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.93% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.08% | 98.03% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.93% | 87.45% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.01% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.53% | 91.81% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.45% | 92.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.92% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.62% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.24% | 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.
| Mandragora officinarum |
| PubChem | 61294 |
| LOTUS | LTS0193789 |
| wikiData | Q27284107 |