[(3E,6S,7S,9Z,12E)-6-acetyloxypentadeca-3,9,12-trien-1-yn-7-yl] acetate
| Internal ID | 546c8c08-8218-4b33-8843-7e20cfff373a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(3E,6S,7S,9Z,12E)-6-acetyloxypentadeca-3,9,12-trien-1-yn-7-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O4/c1-5-7-9-10-11-13-15-19(23-17(4)21)18(22-16(3)20)14-12-8-6-2/h2,7-9,11-13,18-19H,5,10,14-15H2,1,3-4H3/b9-7+,12-8+,13-11-/t18-,19-/m0/s1 |
| InChI Key | UFWMNZKJXRAQTF-IDESMTTMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(3E,6S,7S,9Z,12E)-6-acetyloxypentadeca-3,9,12-trien-1-yn-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3e6s7s9z12e-6-acetyloxypentadeca-3912-trien-1-yn-7-yl-acetate.jpg "2D Structure of [(3E,6S,7S,9Z,12E)-6-acetyloxypentadeca-3,9,12-trien-1-yn-7-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 | 95.09% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.11% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.22% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.00% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.41% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.06% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.96% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.25% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.01% | 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.
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| There are no matching plants. |
| PubChem | 163011345 |
| LOTUS | LTS0027709 |
| wikiData | Q105272185 |