9-Octadecenoic acid (9Z)-, 2-methylpropyl ester
| Internal ID | afdf2250-f8af-4e01-b74e-65070ded7bfe |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | 2-methylpropyl (Z)-octadec-9-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h11-12,21H,4-10,13-20H2,1-3H3/b12-11- |
| InChI Key | GXJLQJFVFMCVHG-QXMHVHEDSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C22H42O2 |
| Molecular Weight | 338.60 g/mol |
| Exact Mass | 338.318480578 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 8.90 |
| 2-methylpropyl (Z)-octadec-9-enoate |
| 9-Octadecenoic acid (9Z)-, 2-methylpropyl ester |
| EINECS 233-022-6 |
| DTXSID9064899 |
| RefChem:108085 |
| DTXCID40911808 |
| 233-022-6 |
| 10024-47-2 |
| Oleic acid, isobutyl ester |
| Olsaureisobutylester |
| 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 | 98.35% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.72% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.69% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.57% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.43% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.06% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.26% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.24% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.00% | 90.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.30% | 87.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.19% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.42% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.17% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.06% | 97.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.65% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.41% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.08% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.96% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.03% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.11% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.04% | 94.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.86% | 97.21% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.85% | 82.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.79% | 93.31% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.79% | 89.34% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.55% | 91.81% |
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.
| Aristolochia fontanesii |
| PubChem | 6436361 |
| LOTUS | LTS0077116 |
| wikiData | Q76327663 |