Pentadeca-2,9-dien-4,6-diynyl acetate
| Internal ID | b98d1946-5118-4732-b855-2036650e9179 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | pentadeca-2,9-dien-4,6-diynyl acetate |
| SMILES (Canonical) | CCCCCC=CCC#CC#CC=CCOC(=O)C |
| SMILES (Isomeric) | CCCCCC=CCC#CC#CC=CCOC(=O)C |
| InChI | InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h7-8,14-15H,3-6,9,16H2,1-2H3 |
| InChI Key | IGNIYJTXYTUVGD-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) | 26.30 Ų |
| XlogP | 4.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.72% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.55% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.47% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.45% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.68% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.29% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.32% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.09% | 91.49% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.58% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.44% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.71% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.48% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.86% | 91.81% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.82% | 97.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.87% | 86.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.29% | 97.47% |
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.
| Bupleurum falcatum |
| Centella asiatica |
| PubChem | 162923605 |
| LOTUS | LTS0200886 |
| wikiData | Q105112726 |