Methyl 8-hydroxy-8-(3-oct-2-enyloxiran-2-yl)octanoate
| Internal ID | c7a4f75f-dc7f-46f4-90e5-cdb3bf5d0764 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | methyl 8-hydroxy-8-(3-oct-2-enyloxiran-2-yl)octanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H34O4/c1-3-4-5-6-7-11-14-17-19(23-17)16(20)13-10-8-9-12-15-18(21)22-2/h7,11,16-17,19-20H,3-6,8-10,12-15H2,1-2H3 |
| InChI Key | CNQBJCXXCMJDMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H34O4 |
| Molecular Weight | 326.50 g/mol |
| Exact Mass | 326.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 4.70 |
| 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 | 98.92% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.26% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.61% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.86% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.73% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.81% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.81% | 92.50% |
| CHEMBL240 | Q12809 | HERG | 89.61% | 89.76% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.64% | 97.21% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.01% | 89.63% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.53% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.51% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.05% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.06% | 91.19% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.05% | 95.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.54% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.21% | 91.81% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.55% | 92.88% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.88% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.79% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.71% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.47% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.88% | 98.03% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.74% | 97.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.44% | 95.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.88% | 96.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.22% | 92.12% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.04% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.87% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.07% | 96.90% |
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 | 163065294 |
| LOTUS | LTS0237474 |
| wikiData | Q103817891 |