3-[11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]-2H-furan-5-one
| Internal ID | 989dcd96-a8a9-453c-a5f9-a5ba99de5c8f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 3-[11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]-2H-furan-5-one |
| SMILES (Canonical) | CC(=CCCC(=CCCC1=COC=C1)C)CCCC2=CC(=O)OC2 |
| SMILES (Isomeric) | CC(=CCCC(=CCCC1=COC=C1)C)CCCC2=CC(=O)OC2 |
| InChI | InChI=1S/C21H28O3/c1-17(8-4-10-19-12-13-23-15-19)6-3-7-18(2)9-5-11-20-14-21(22)24-16-20/h7-8,12-15H,3-6,9-11,16H2,1-2H3 |
| InChI Key | WCHKEOQZUQGPSS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 3-[11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-11-furan-3-yl-48-dimethylundeca-48-dienyl-2h-furan-5-one.jpg "2D Structure of 3-[11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]-2H-furan-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.42% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.01% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.23% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.84% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.96% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.17% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.69% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.95% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.71% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.37% | 90.71% |
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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| There are no matching plants. |
| PubChem | 73818205 |
| LOTUS | LTS0073647 |
| wikiData | Q105301785 |