Heptadeca-2,9,16-trien-4,6-diyne-1,8-diol
| Internal ID | 1eed23ac-4147-4414-a18a-7e347f0cfb73 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | heptadeca-2,9,16-trien-4,6-diyne-1,8-diol |
| SMILES (Canonical) | C=CCCCCCC=CC(C#CC#CC=CCO)O |
| SMILES (Isomeric) | C=CCCCCCC=CC(C#CC#CC=CCO)O |
| InChI | InChI=1S/C17H22O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h2,10-11,13-14,17-19H,1,3-6,8,16H2 |
| InChI Key | UOQDNDFAPLNEJQ-UHFFFAOYSA-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) | 40.50 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.45% | 95.92% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 91.21% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.86% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.04% | 94.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.82% | 97.29% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.64% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.10% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.57% | 87.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.18% | 95.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.62% | 98.35% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.26% | 89.34% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.63% | 92.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.50% | 98.95% |
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.
To see more specific details click the taxa you are interested in.
| Aster koraiensis |
| PubChem | 73805562 |
| LOTUS | LTS0147399 |
| wikiData | Q105276519 |