[(3S,8R,9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl] acetate
| Internal ID | 7f0e418b-f29d-4e92-897b-5851fb545f5c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | [(3S,8R,9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl] acetate |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(C=C)O)OC(=O)C |
| SMILES (Isomeric) | CCCCCCC/C=C\[C@H](C#CC#C[C@H](C=C)O)OC(=O)C |
| InChI | InChI=1S/C19H26O3/c1-4-6-7-8-9-10-11-15-19(22-17(3)20)16-13-12-14-18(21)5-2/h5,11,15,18-19,21H,2,4,6-10H2,1,3H3/b15-11-/t18-,19+/m0/s1 |
| InChI Key | PFFJZNDHEVESLF-GYVFVFFDSA-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. |
![2D Structure of [(3S,8R,9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3s8r9z-3-hydroxyheptadeca-19-dien-46-diyn-8-yl-acetate.jpg "2D Structure of [(3S,8R,9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.73% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.80% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.98% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.16% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.92% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.37% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.04% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.08% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.93% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.63% | 91.19% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.74% | 87.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.72% | 97.21% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.71% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.30% | 89.63% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.95% | 82.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.64% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.56% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.35% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.34% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.25% | 85.94% |
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.
| Niphogeton ternata |
| PubChem | 163195363 |
| LOTUS | LTS0115982 |
| wikiData | Q105207713 |