[(3S,13E,15Z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-yl] acetate
| Internal ID | bfcc37ca-43db-4335-9f9d-32e72e17fc99 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [(3S,13E,15Z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-yl] acetate |
| SMILES (Canonical) | CCC(CCCCCC#CC#CC=CC=CCl)OC(=O)C |
| SMILES (Isomeric) | CC[C@@H](CCCCCC#CC#C/C=C/C=C\Cl)OC(=O)C |
| InChI | InChI=1S/C18H23ClO2/c1-3-18(21-17(2)20)15-13-11-9-7-5-4-6-8-10-12-14-16-19/h10,12,14,16,18H,3,7,9,11,13,15H2,1-2H3/b12-10+,16-14-/t18-/m0/s1 |
| InChI Key | PBRKYXWOYDVIQL-CJOOTHTDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H23ClO2 |
| Molecular Weight | 306.80 g/mol |
| Exact Mass | 306.1386577 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of [(3S,13E,15Z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3s13e15z-16-chlorohexadeca-1315-dien-911-diyn-3-yl-acetate.jpg "2D Structure of [(3S,13E,15Z)-16-chlorohexadeca-13,15-dien-9,11-diyn-3-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.78% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.32% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.70% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.00% | 92.86% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.94% | 89.34% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.81% | 97.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.55% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.83% | 96.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.68% | 95.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.19% | 96.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.97% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.36% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.30% | 97.29% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.18% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162972792 |
| LOTUS | LTS0049860 |
| wikiData | Q105205373 |