[(8R,9S,11Z,14Z)-8-hydroxyheptadeca-1,11,14-trien-9-yl] acetate
| Internal ID | d7d048a0-e4bc-4274-92b7-1d9db821dd45 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(8R,9S,11Z,14Z)-8-hydroxyheptadeca-1,11,14-trien-9-yl] acetate |
| SMILES (Canonical) | CCC=CCC=CCC(C(CCCCCC=C)O)OC(=O)C |
| SMILES (Isomeric) | CC/C=C\C/C=C\C[C@@H]([C@@H](CCCCCC=C)O)OC(=O)C |
| InChI | InChI=1S/C19H32O3/c1-4-6-8-10-12-14-16-19(22-17(3)20)18(21)15-13-11-9-7-5-2/h5-6,8,12,14,18-19,21H,2,4,7,9-11,13,15-16H2,1,3H3/b8-6-,14-12-/t18-,19+/m1/s1 |
| InChI Key | BTOBLOUJOCZMHY-PZKRYTKLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32O3 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [(8R,9S,11Z,14Z)-8-hydroxyheptadeca-1,11,14-trien-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8r9s11z14z-8-hydroxyheptadeca-11114-trien-9-yl-acetate.jpg "2D Structure of [(8R,9S,11Z,14Z)-8-hydroxyheptadeca-1,11,14-trien-9-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.32% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.77% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.30% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.08% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.26% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.54% | 91.11% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 84.25% | 90.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.73% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.34% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.85% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.14% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.08% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.99% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.78% | 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.
| Cirsium helenioides |
| Cirsium nipponicum |
| PubChem | 162984218 |
| LOTUS | LTS0069812 |
| wikiData | Q104945775 |