2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
| Internal ID | d2cd3cef-1fff-4953-af88-8e66a41cae71 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | 2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene |
| SMILES (Canonical) | CC#CC#CC=C1C=CC2(O1)CCCO2 |
| SMILES (Isomeric) | CC#CC#CC=C1C=CC2(O1)CCCO2 |
| InChI | InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3 |
| InChI Key | WTRXKCNFPMTAJV-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.23 g/mol |
| Exact Mass | 200.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 2.50 |
| 2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene |
| 2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene |
| 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro(4.4)non-3-ene |
| En-yn-dicycloether |
| EINECS 240-885-2 |
| 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene |
| 4-Deoxy-2,3-dihydromycosinol |
| DTXSID90937513 |
| WTRXKCNFPMTAJV-UHFFFAOYSA-N |
| 1,6-Dioxaspiro(4.4)non-3-ene, 2-(2,4-hexadiynylidene)- |
![2D Structure of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene](https://plantaedb.com/storage/docs/compounds/2023/11/2-24-hexadiynylidene-16-dioxaspiro44non-3-ene.jpg "2D Structure of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.64% | 91.11% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.28% | 80.96% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.21% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.82% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.67% | 86.33% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 84.15% | 96.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.22% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.18% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.56% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.32% | 89.00% |
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.
To see more specific details click the taxa you are interested in.
| Artemisia pedemontana subsp. assoana |
| Chrysanthemum indicum |
| Chrysanthemum naktongense |
| Chrysanthemum yoshinaganthum |
| Glebionis coronaria |
| Glebionis segetum |
| Plagius flosculosus |
| Tanacetum parthenium |
| PubChem | 103031 |
| LOTUS | LTS0191133 |
| wikiData | Q82913734 |