(7E)-7-ethyl-4,9-dihydroxy-7-undecene-3,6-dione
| Internal ID | 0906cf29-9ddd-40a2-a989-4bf1d670d957 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (E)-7-ethyl-4,9-dihydroxyundec-7-ene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H22O4/c1-4-9(7-10(14)5-2)12(16)8-13(17)11(15)6-3/h7,10,13-14,17H,4-6,8H2,1-3H3/b9-7+ |
| InChI Key | CYGJFSHNKYCQCA-VQHVLOKHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H22O4 |
| Molecular Weight | 242.31 g/mol |
| Exact Mass | 242.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 0.80 |
| SCHEMBL17867102 |
| CHEBI:205806 |
| (E)-7-ethyl-4,9-dihydroxyundec-7-ene-3,6-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.77% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.50% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.37% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.32% | 97.21% |
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 | 101854812 |
| LOTUS | LTS0080188 |
| wikiData | Q104972293 |