(3S,7R)-3,7-dimethyl-8-(3-methylnon-2-enoyloxy)octanoic acid
| Internal ID | 69a179c2-ea11-4eea-ba0a-b678d5da8502 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (3S,7R)-3,7-dimethyl-8-(3-methylnon-2-enoyloxy)octanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H36O4/c1-5-6-7-8-10-17(3)14-20(23)24-15-18(4)12-9-11-16(2)13-19(21)22/h14,16,18H,5-13,15H2,1-4H3,(H,21,22)/t16-,18+/m0/s1 |
| InChI Key | HPMCDJQPMNPVHR-FUHWJXTLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H36O4 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.69% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.33% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.81% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.16% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.74% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.62% | 92.86% |
| CHEMBL3776 | Q14790 | Caspase-8 | 88.53% | 97.06% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.42% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.72% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.44% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.82% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.69% | 89.34% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.63% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.23% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.24% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.68% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.40% | 85.94% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.15% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.03% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.68% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.44% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.77% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.11% | 98.03% |
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 | 162907128 |
| LOTUS | LTS0074940 |
| wikiData | Q105031756 |