(1-Acetyloxy-3-hydroxypropan-2-yl) 3-acetyloxy-6-hydroxyicosanoate
| Internal ID | b242d3c2-bec8-4846-8a79-644fff405f30 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (1-acetyloxy-3-hydroxypropan-2-yl) 3-acetyloxy-6-hydroxyicosanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H50O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24(31)17-18-25(34-23(3)30)19-27(32)35-26(20-28)21-33-22(2)29/h24-26,28,31H,4-21H2,1-3H3 |
| InChI Key | VSMMARVLBUTSFJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H50O8 |
| Molecular Weight | 502.70 g/mol |
| Exact Mass | 502.35056855 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.50% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.42% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.29% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.71% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.89% | 92.86% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.77% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.67% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.15% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.87% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.42% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.82% | 85.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.43% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.93% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.68% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.07% | 98.75% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.31% | 82.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.79% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.10% | 92.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.67% | 96.90% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.33% | 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.
| Paulownia tomentosa |
| PubChem | 162874969 |
| LOTUS | LTS0090949 |
| wikiData | Q105292353 |