5-Docosa-2,5-dienyl-1,4-dioxane-2,3-dione
| Internal ID | a86445f0-2735-4aa2-80e0-1a2b8514e4b7 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,4-dioxanes |
| IUPAC Name | 5-docosa-2,5-dienyl-1,4-dioxane-2,3-dione |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC=CCC=CCC1COC(=O)C(=O)O1 |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCC=CCC=CCC1COC(=O)C(=O)O1 |
| InChI | InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-29-25(27)26(28)30-24/h17-18,20-21,24H,2-16,19,22-23H2,1H3 |
| InChI Key | KKLIWBRQYWFBNJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H44O4 |
| Molecular Weight | 420.60 g/mol |
| Exact Mass | 420.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 10.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.83% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.37% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.25% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.68% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.11% | 85.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.75% | 86.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.04% | 91.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.59% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.77% | 97.25% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.93% | 97.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.70% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.56% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.80% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.64% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.59% | 99.23% |
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.
| Lawsonia inermis |
| PubChem | 162978356 |
| LOTUS | LTS0048290 |
| wikiData | Q105142240 |