[(2S)-2,3-dihydroxypropyl] 20-methylhenicos-5-enoate
| Internal ID | dfe79fd4-0eb6-4d39-81cd-cc6ce86551c5 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Monoradylglycerols > Monoacylglycerols > 1-monoacylglycerols |
| IUPAC Name | [(2S)-2,3-dihydroxypropyl] 20-methylhenicos-5-enoate |
| SMILES (Canonical) | CC(C)CCCCCCCCCCCCCC=CCCCC(=O)OCC(CO)O |
| SMILES (Isomeric) | CC(C)CCCCCCCCCCCCCC=CCCCC(=O)OC[C@H](CO)O |
| InChI | InChI=1S/C25H48O4/c1-23(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-25(28)29-22-24(27)21-26/h12,14,23-24,26-27H,3-11,13,15-22H2,1-2H3/t24-/m0/s1 |
| InChI Key | MPXRWZKBFNUKJV-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H48O4 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of [(2S)-2,3-dihydroxypropyl] 20-methylhenicos-5-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-23-dihydroxypropyl-20-methylhenicos-5-enoate.jpg "2D Structure of [(2S)-2,3-dihydroxypropyl] 20-methylhenicos-5-enoate")
| 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 | 97.09% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.45% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.06% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.19% | 89.63% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.36% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.50% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.91% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.81% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.64% | 87.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.71% | 100.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.61% | 92.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.63% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.32% | 94.45% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 81.00% | 89.92% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.93% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.78% | 91.11% |
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 | 162918258 |
| LOTUS | LTS0230802 |
| wikiData | Q105169805 |