Elenolide
| Internal ID | 20b94cdf-0a48-4df7-8e1a-cd275a68d4fb |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | methyl (4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-carboxylate |
| SMILES (Canonical) | CC=C(C=O)C1CC(=O)OC=C1C(=O)OC |
| SMILES (Isomeric) | C/C=C(/C=O)\[C@@H]1CC(=O)OC=C1C(=O)OC |
| InChI | InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3-/t8-/m0/s1 |
| InChI Key | TXTINTVPMBCGKO-PFPYCLJUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.21 g/mol |
| Exact Mass | 224.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 0.20 |
| Elenolide [MI] |
| 24582-91-0 |
| UNII-083ZO77RIL |
| 083ZO77RIL |
| (4S)-4-((1E)-1-Formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-2H-pyran-5-carboxylic acid methyl ester |
| 2H-Pyran-5-carboxylic acid, 4-((1E)-1-formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-, methyl ester, (4S)- |
| SCHEMBL425227 |
| SCHEMBL425228 |
| CHEBI:172461 |
| DTXSID201128546 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.11% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.28% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.00% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.84% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.20% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.07% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.68% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.09% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.04% | 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.
| Olea europaea |
| PubChem | 20054903 |
| LOTUS | LTS0240887 |
| wikiData | Q27236361 |