1,3-Dihydroxypropan-2-yl 3-acetyloxy-6-hydroxyoctadecanoate
| Internal ID | b087c829-9677-402f-a3ce-c029e18a5f37 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 1,3-dihydroxypropan-2-yl 3-acetyloxy-6-hydroxyoctadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-20(27)14-15-21(29-19(2)26)16-23(28)30-22(17-24)18-25/h20-22,24-25,27H,3-18H2,1-2H3 |
| InChI Key | LXNSOWATMNHQMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H44O7 |
| Molecular Weight | 432.60 g/mol |
| Exact Mass | 432.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.90 |
| 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 | 97.97% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.49% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.34% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.27% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.22% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.33% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.92% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.28% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.44% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.41% | 91.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.02% | 94.45% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.73% | 82.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.68% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.30% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.17% | 85.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.79% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.53% | 98.75% |
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 | 163018959 |
| LOTUS | LTS0012519 |
| wikiData | Q105158960 |