methyl (3S,5R)-3,5-dihydroxy-3,5-dimethylhenicosanoate
| Internal ID | 989c52d3-6df4-4912-878c-72a49853ad6e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl (3S,5R)-3,5-dihydroxy-3,5-dimethylhenicosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC(C)(CC(C)(CC(=O)OC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC[C@](C)(C[C@@](C)(CC(=O)OC)O)O |
| InChI | InChI=1S/C24H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,26)21-24(3,27)20-22(25)28-4/h26-27H,5-21H2,1-4H3/t23-,24-/m1/s1 |
| InChI Key | PJXGSVTXVARPFW-DNQXCXABSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H48O4 |
| Molecular Weight | 400.60 g/mol |
| Exact Mass | 400.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.74% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.65% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.92% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.03% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.20% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.96% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.62% | 92.86% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.50% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.32% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.13% | 94.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.12% | 92.68% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.18% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.00% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.06% | 87.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.75% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.47% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.55% | 91.81% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.52% | 97.25% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.53% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.24% | 93.56% |
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 | 49831453 |
| LOTUS | LTS0224329 |
| wikiData | Q105210205 |