methyl (8S)-8-hexyltetracosanoate
| Internal ID | 16e5b6e5-7a34-418d-b656-2facb7ffecbd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (8S)-8-hexyltetracosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC(CCCCCC)CCCCCCC(=O)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC[C@H](CCCCCC)CCCCCCC(=O)OC |
| InChI | InChI=1S/C31H62O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-23-27-30(26-22-9-7-5-2)28-24-20-21-25-29-31(32)33-3/h30H,4-29H2,1-3H3/t30-/m0/s1 |
| InChI Key | CCSSQXZMJFQINX-PMERELPUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H62O2 |
| Molecular Weight | 466.80 g/mol |
| Exact Mass | 466.47498122 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 14.70 |
| 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 | 97.24% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.03% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.96% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.64% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.25% | 95.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.93% | 98.03% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.52% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.99% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.73% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.53% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.07% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.89% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.54% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.59% | 91.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.56% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.98% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.85% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.81% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.18% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.30% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.81% | 91.19% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.69% | 95.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.06% | 97.21% |
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.
| Hygrophila auriculata |
| PubChem | 163008906 |
| LOTUS | LTS0267229 |
| wikiData | Q104953813 |