[(11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
| Internal ID | af764ff1-237c-4024-a3bb-4140ded8504d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate |
| SMILES (Canonical) | CC(=O)OCCCCCCCCC=CC(C#CC#CC(C=C)O)O |
| SMILES (Isomeric) | CC(=O)OCCCCCCCCC=C[C@@H](C#CC#C[C@H](C=C)O)O |
| InChI | InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/t19-,20-/m0/s1 |
| InChI Key | VVURZXYIXNNJCG-PMACEKPBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [(11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/11s16s-1116-dihydroxyoctadeca-917-dien-1214-diynyl-acetate.jpg "2D Structure of [(11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] 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 | 95.69% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.44% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.83% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.83% | 97.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.61% | 94.75% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.60% | 95.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.57% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.13% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.40% | 89.34% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.27% | 92.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.76% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.13% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.80% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.78% | 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.
| Angelica gigas |
| Oplopanax horridus |
| PubChem | 467780 |
| LOTUS | LTS0208813 |
| wikiData | Q105297910 |