16-Chlorohexadeca-7,13,15-trien-9,11-diyn-2-yl acetate
| Internal ID | 129e9eae-a690-4e1f-b714-617f9d625d2b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | 16-chlorohexadeca-7,13,15-trien-9,11-diyn-2-yl acetate |
| SMILES (Canonical) | CC(CCCCC=CC#CC#CC=CC=CCl)OC(=O)C |
| SMILES (Isomeric) | CC(CCCCC=CC#CC#CC=CC=CCl)OC(=O)C |
| InChI | InChI=1S/C18H21ClO2/c1-17(21-18(2)20)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19/h5,7,10,12,14,16-17H,9,11,13,15H2,1-2H3 |
| InChI Key | PWMZDYHHBKGSKS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21ClO2 |
| Molecular Weight | 304.80 g/mol |
| Exact Mass | 304.1230076 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.77% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.21% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.79% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.00% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.48% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.28% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.21% | 97.21% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.50% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.81% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.57% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.57% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.15% | 94.73% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.39% | 97.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.08% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.73% | 92.29% |
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.
| There are no matching plants. |
| PubChem | 73098660 |
| LOTUS | LTS0059783 |
| wikiData | Q105215908 |