(8S,9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
| Internal ID | 4f09467b-d755-40f6-8a01-c742bb4553e1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (8S,9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(=O)C=C)O |
| SMILES (Isomeric) | CCCCCCC/C=C\[C@@H](C#CC#CC(=O)C=C)O |
| InChI | InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-/t17-/m0/s1 |
| InChI Key | STNWZOBISHHDCD-QXSWTLKVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O2 |
| Molecular Weight | 258.35 g/mol |
| Exact Mass | 258.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 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 | 97.09% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.79% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.26% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.65% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.30% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.01% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.29% | 92.86% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.50% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.29% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.35% | 89.34% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.15% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.49% | 92.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.24% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.77% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.13% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.03% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.45% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.13% | 87.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.60% | 97.21% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.84% | 86.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.51% | 94.33% |
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.
| Aegopodium podagraria |
| Eryngium bourgatii |
| PubChem | 162870726 |
| LOTUS | LTS0175516 |
| wikiData | Q105260463 |