(8S,9Z)-1,8-dihydroxyheptadeca-9,16-dien-4,6-diyn-3-one
| Internal ID | d8b24e0a-2bd6-451e-8014-6d5e1f2cd73b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | (8S,9Z)-1,8-dihydroxyheptadeca-9,16-dien-4,6-diyn-3-one |
| SMILES (Canonical) | C=CCCCCCC=CC(C#CC#CC(=O)CCO)O |
| SMILES (Isomeric) | C=CCCCCC/C=C\[C@@H](C#CC#CC(=O)CCO)O |
| InChI | InChI=1S/C17H22O3/c1-2-3-4-5-6-7-8-11-16(19)12-9-10-13-17(20)14-15-18/h2,8,11,16,18-19H,1,3-7,14-15H2/b11-8-/t16-/m0/s1 |
| InChI Key | VDJHTIHZCWUOHG-CLOOOTJHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O3 |
| Molecular Weight | 274.35 g/mol |
| Exact Mass | 274.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.40% | 99.17% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 92.76% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.67% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.13% | 97.29% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.71% | 95.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.88% | 94.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.53% | 95.17% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 82.26% | 82.05% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.31% | 89.34% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.96% | 91.24% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.12% | 80.00% |
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.
| Artemisia scoparia |
| PubChem | 163186893 |
| LOTUS | LTS0108822 |
| wikiData | Q105284200 |