1-(6-Pentyloxan-2-ylidene)but-3-yn-2-one
| Internal ID | b534e395-c61a-49b4-a724-13bf0f532f31 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 1-(6-pentyloxan-2-ylidene)but-3-yn-2-one |
| SMILES (Canonical) | CCCCCC1CCCC(=CC(=O)C#C)O1 |
| SMILES (Isomeric) | CCCCCC1CCCC(=CC(=O)C#C)O1 |
| InChI | InChI=1S/C14H20O2/c1-3-5-6-8-13-9-7-10-14(16-13)11-12(15)4-2/h2,11,13H,3,5-10H2,1H3 |
| InChI Key | SODAWQYBFIAKRW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 g/mol |
| Exact Mass | 220.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.80 |
| 1-(6-pentyloxan-2-ylidene)but-3-yn-2-one |
| DTXSID60771507 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.43% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.06% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.06% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.28% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.81% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.52% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.47% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.36% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.04% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.94% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.81% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.59% | 98.75% |
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.
| Eryngium bourgatii |
| PubChem | 71345196 |
| LOTUS | LTS0039889 |
| wikiData | Q82731448 |