[(2R)-2,3-dihydroxypropyl] octacosanoate
| Internal ID | 9a626ef6-ce74-436c-a9e5-2de6d8af099f |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols |
| IUPAC Name | [(2R)-2,3-dihydroxypropyl] octacosanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O |
| InChI | InChI=1S/C31H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(34)35-29-30(33)28-32/h30,32-33H,2-29H2,1H3/t30-/m1/s1 |
| InChI Key | BQMPZRKQANYIQU-SSEXGKCCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H62O4 |
| Molecular Weight | 498.80 g/mol |
| Exact Mass | 498.46481045 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 12.80 |
| There are no found synonyms. |
![2D Structure of [(2R)-2,3-dihydroxypropyl] octacosanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-23-dihydroxypropyl-octacosanoate.jpg "2D Structure of [(2R)-2,3-dihydroxypropyl] octacosanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.96% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.79% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.56% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.13% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.25% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.99% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.27% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.70% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.52% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.70% | 97.25% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.30% | 91.81% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.26% | 87.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.87% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.68% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.48% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.01% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.23% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.59% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.57% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.25% | 96.00% |
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.
| Caragana sinica |
| Plumeria rubra |
| PubChem | 163065461 |
| LOTUS | LTS0149639 |
| wikiData | Q104944442 |