3-(17-Hydroxyoctadeca-1,5-dien-3-ynoxy)propane-1,2-diol
| Internal ID | c7915dc4-6cad-474d-be33-f17fbeaa5973 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 3-(17-hydroxyoctadeca-1,5-dien-3-ynoxy)propane-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H36O4/c1-20(23)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-25-19-21(24)18-22/h7,9,15,17,20-24H,2-6,8,10,12,14,16,18-19H2,1H3 |
| InChI Key | JPVHGPAQJWEPFH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O4 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.07% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.32% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.14% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.48% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.13% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.49% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.90% | 92.86% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 85.65% | 92.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.35% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.42% | 83.82% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.01% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.45% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.50% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.67% | 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.
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| There are no matching plants. |
| PubChem | 73808791 |
| LOTUS | LTS0194996 |
| wikiData | Q105133338 |