8-Hydroxyheptadeca-1,9-dien-4,6-diyn-3-yl acetate
| Internal ID | 08de35d3-41f8-4c7b-aa66-98d3bc459dbc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | 8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-yl acetate |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(C=C)OC(=O)C)O |
| SMILES (Isomeric) | CCCCCCCC=CC(C#CC#CC(C=C)OC(=O)C)O |
| InChI | InChI=1S/C19H26O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h5,11,14,18-19,21H,2,4,6-10H2,1,3H3 |
| InChI Key | UZDRBZORBWOTCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O3 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
| 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 | 96.92% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.80% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.28% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.52% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.16% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.35% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.76% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.93% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.67% | 87.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.46% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.27% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.71% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.57% | 85.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.29% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.74% | 91.81% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.04% | 86.67% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.35% | 82.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.95% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.95% | 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.
| Daucus carota |
| PubChem | 162988599 |
| LOTUS | LTS0238527 |
| wikiData | Q105282121 |