9-Octadecenoic acid (9Z)-, dodecyl ester
| Internal ID | 25736170-146d-4956-80aa-61ad59341733 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | dodecyl octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC |
| InChI | InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3 |
| InChI Key | OXPCWUWUWIWSGI-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C30H58O2 |
| Molecular Weight | 450.80 g/mol |
| Exact Mass | 450.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 13.20 |
| 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 | 98.74% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.76% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.43% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.27% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.80% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.20% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.17% | 98.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.61% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.87% | 97.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.24% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.17% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.71% | 91.81% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.53% | 89.34% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.18% | 87.45% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.16% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.28% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.25% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.09% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.78% | 91.11% |
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.
| Acacia pruinosa |
| Aegilops geniculata |
| Cycas beddomei |
| Iodes cirrhosa |
| Lespedeza davidii |
| Syzygium samarangense |