Heptadeca-1,9,16-trien-4,6-diyn-3-one
| Internal ID | aa8d297c-76b2-40d6-ac27-9beb37167856 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated ketones > Enones |
| IUPAC Name | heptadeca-1,9,16-trien-4,6-diyn-3-one |
| SMILES (Canonical) | C=CCCCCCC=CCC#CC#CC(=O)C=C |
| SMILES (Isomeric) | C=CCCCCCC=CCC#CC#CC(=O)C=C |
| InChI | InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11H,1-2,5-9,12H2 |
| InChI Key | HLHBDMWPPKHNDQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O |
| Molecular Weight | 240.34 g/mol |
| Exact Mass | 240.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.50 |
| 4117-05-9 |
| DTXSID60331589 |
| 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 | 93.31% | 99.17% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 90.10% | 98.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.41% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.74% | 96.95% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 86.16% | 82.05% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.97% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.01% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.52% | 97.21% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.97% | 92.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.52% | 98.95% |
| CHEMBL1824 | P04626 | Receptor protein-tyrosine kinase erbB-2 | 81.53% | 95.29% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.11% | 97.00% |
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.
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| PubChem | 441545 |
| LOTUS | LTS0171386 |
| wikiData | Q105030151 |