Heptadeca-2,9-dien-4,6-diyne
| Internal ID | 9d5339df-1c4d-4179-b367-4b22bc43d530 |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Acetylenes > Acyclic acetylenes > Alkatriynes |
| IUPAC Name | heptadeca-2,9-dien-4,6-diyne |
| SMILES (Canonical) | CCCCCCCC=CCC#CC#CC=CC |
| SMILES (Isomeric) | CCCCCCCC=CCC#CC#CC=CC |
| InChI | InChI=1S/C17H24/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,5,16-17H,4,6,8,10,12,14-15H2,1-2H3 |
| InChI Key | JUPBZYWIMLHFNX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H24 |
| Molecular Weight | 228.37 g/mol |
| Exact Mass | 228.187800766 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 6.50 |
| 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 | 97.78% | 89.76% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.22% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.02% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.93% | 89.63% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.37% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.26% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 86.63% | 96.42% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.88% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.77% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.15% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.29% | 97.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.71% | 87.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.69% | 93.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.65% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.10% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.09% | 85.94% |
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.
| Oenanthe crocata |
| PubChem | 162993530 |
| LOTUS | LTS0172099 |
| wikiData | Q105135353 |