1,9-Heptadecadiene-4,6-diyn-3-one, (Z)-
| Internal ID | 31e256af-a8a5-4190-bf21-f4fc216a61ae |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated ketones > Enones |
| IUPAC Name | heptadeca-1,9-dien-4,6-diyn-3-one |
| SMILES (Canonical) | CCCCCCCC=CCC#CC#CC(=O)C=C |
| SMILES (Isomeric) | CCCCCCCC=CCC#CC#CC(=O)C=C |
| InChI | InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3 |
| InChI Key | UQEBOJRXTNLPKZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O |
| Molecular Weight | 242.36 g/mol |
| Exact Mass | 242.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 6.00 |
| 1,9-Heptadecadiene-4,6-diyn-3-one, (Z)- |
| 4117-11-7 |
| DTXSID10194101 |
| NCI60_018631 |
| 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 | 96.24% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.73% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.81% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.40% | 97.29% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.59% | 97.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.46% | 91.81% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.01% | 89.34% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.88% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.59% | 85.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.88% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.96% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.69% | 97.21% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.64% | 92.86% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 81.11% | 98.51% |
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.
| Aegopodium podagraria |
| PubChem | 374869 |
| LOTUS | LTS0031923 |
| wikiData | Q105277193 |