methyl 8-[(2R,3R)-3-octyloxiran-2-yl]octanoate
| Internal ID | 966d3717-96b6-452d-bc50-936ca0ceb1cb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives |
| IUPAC Name | methyl 8-[(2R,3R)-3-octyloxiran-2-yl]octanoate |
| SMILES (Canonical) | CCCCCCCCC1C(O1)CCCCCCCC(=O)OC |
| SMILES (Isomeric) | CCCCCCCC[C@@H]1[C@H](O1)CCCCCCCC(=O)OC |
| InChI | InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1 |
| InChI Key | CAMHHLOGFDZBBG-QZTJIDSGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H36O3 |
| Molecular Weight | 312.50 g/mol |
| Exact Mass | 312.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 6.50 |
| 6084-76-0 |
| Methyl 3-octyloxiraneoctanoate |
| Oxiraneoctanoic acid, 3-octyl-, methyl ester, trans- |
| (+/-)-trans-9,10-Epoxystearic Acid Methyl Ester |
| Octadecanoic acid, 9,10-epoxy-, methyl ester, trans- |
| SCHEMBL28633231 |
| Methyl trans-9,10-epoxystearate |
| DTXSID901338158 |
| Methyl 8-(3-octyl-2-oxiranyl)octanoate, trans |
| (2R,3R)-rel-Methyl 3-octyl-2-oxiraneoctanoate |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of methyl 8-[(2R,3R)-3-octyloxiran-2-yl]octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-8-2r3r-3-octyloxiran-2-yloctanoate.jpg "2D Structure of methyl 8-[(2R,3R)-3-octyloxiran-2-yl]octanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.55% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.91% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.58% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.41% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.81% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.65% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.29% | 98.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.62% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.61% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.02% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.32% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.09% | 97.79% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.73% | 95.50% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 82.63% | 90.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.52% | 94.33% |
| CHEMBL4374 | Q9Y5X4 | Photoreceptor-specific nuclear receptor | 82.27% | 85.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.94% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.17% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.60% | 91.19% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.28% | 95.93% |
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.
| There are no matching plants. |
| PubChem | 6454051 |
| LOTUS | LTS0078475 |
| wikiData | Q104951504 |