(2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol
| Internal ID | a158f7e8-dcf5-4660-9bea-f11b08ced5c2 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycerol vinyl ethers |
| IUPAC Name | (2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol |
| SMILES (Canonical) | CCCCCCCC=CC#CC=COCC(CO)O |
| SMILES (Isomeric) | CCCCCCC/C=C\C#C/C=C\OC[C@H](CO)O |
| InChI | InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h8-9,12-13,16-18H,2-7,14-15H2,1H3/b9-8-,13-12-/t16-/m0/s1 |
| InChI Key | GTUVAFBOEGIOIW-BJQMMIFBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H26O3 |
| Molecular Weight | 266.38 g/mol |
| Exact Mass | 266.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-3-1z5z-trideca-15-dien-3-ynoxypropane-12-diol.jpg "2D Structure of (2S)-3-[(1Z,5Z)-trideca-1,5-dien-3-ynoxy]propane-1,2-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.02% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.94% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.34% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.51% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.22% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 92.84% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.54% | 89.63% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.78% | 93.31% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.19% | 87.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.79% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.52% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.38% | 85.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.56% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.57% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.96% | 96.95% |
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 | 21591333 |
| LOTUS | LTS0128013 |
| wikiData | Q105019525 |