Allo-schkuhriolide
| Internal ID | b5c809eb-1cb5-4b12-8ef6-2e0fd5e5902d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (3aR,4R,6E,10E,11aR)-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde |
| SMILES (Canonical) | CC1=CC2C(C(CC(=CCC1)C=O)O)C(=C)C(=O)O2 |
| SMILES (Isomeric) | C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C\CC1)/C=O)O)C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H18O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,8,12-14,17H,2-4,7H2,1H3/b9-6+,11-5+/t12-,13-,14-/m1/s1 |
| InChI Key | DABORJCHZSJBJP-JMCBBATMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.10 |
| CHEMBL472440 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.74% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.79% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.58% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.48% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.04% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.79% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.15% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.68% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.15% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.12% | 98.95% |
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.
| Helianthus annuus |
| Helianthus maximiliani |
| Schkuhria schkuhrioides |
| PubChem | 10015562 |
| LOTUS | LTS0119119 |
| wikiData | Q104936416 |