[(E,5R)-1-hydroxydotetracont-3-en-5-yl] acetate
| Internal ID | 2cd17395-711f-44e6-a9f8-16bc3d0d4d6a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(E,5R)-1-hydroxydotetracont-3-en-5-yl] acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C=CCCO)OC(=O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](/C=C/CCO)OC(=O)C |
| InChI | InChI=1S/C44H86O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-40-44(47-43(2)46)41-38-39-42-45/h38,41,44-45H,3-37,39-40,42H2,1-2H3/b41-38+/t44-/m1/s1 |
| InChI Key | GNAXFYJLLSPQOJ-FTMJMWATSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H86O3 |
| Molecular Weight | 663.20 g/mol |
| Exact Mass | 662.65769660 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 19.90 |
| There are no found synonyms. |
![2D Structure of [(E,5R)-1-hydroxydotetracont-3-en-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e5r-1-hydroxydotetracont-3-en-5-yl-acetate.jpg "2D Structure of [(E,5R)-1-hydroxydotetracont-3-en-5-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.84% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.90% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.86% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 90.56% | 87.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.37% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.96% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.01% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.84% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.13% | 91.81% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.86% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.79% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.10% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.82% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.69% | 91.19% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.65% | 93.31% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.39% | 91.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.72% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.31% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.68% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.57% | 94.73% |
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.
| Stellaria media |
| PubChem | 162917955 |
| LOTUS | LTS0227843 |
| wikiData | Q105012269 |