[(2R,4R)-1,2-dihydroxyheptadec-16-en-4-yl] acetate
| Internal ID | d87b6ecc-4cce-4004-957b-318d4789bf13 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(2R,4R)-1,2-dihydroxyheptadec-16-en-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(CCCCCCCCCCCC=C)CC(CO)O |
| SMILES (Isomeric) | CC(=O)O[C@H](CCCCCCCCCCCC=C)C[C@H](CO)O |
| InChI | InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23-17(2)21)15-18(22)16-20/h3,18-20,22H,1,4-16H2,2H3/t18-,19-/m1/s1 |
| InChI Key | MFLWBVVCOWPUBA-RTBURBONSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36O4 |
| Molecular Weight | 328.50 g/mol |
| Exact Mass | 328.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [(2R,4R)-1,2-dihydroxyheptadec-16-en-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r4r-12-dihydroxyheptadec-16-en-4-yl-acetate.jpg "2D Structure of [(2R,4R)-1,2-dihydroxyheptadec-16-en-4-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.28% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.44% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.96% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.06% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.47% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.46% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.35% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.17% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.34% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.62% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.40% | 94.33% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.06% | 92.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.71% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.17% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.41% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.09% | 89.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.37% | 100.00% |
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.
| Persea americana |
| PubChem | 26500336 |
| LOTUS | LTS0175163 |
| wikiData | Q105162830 |