(6-ethenyl-4-hydroxy-3-methylidene-2-oxo-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-6-yl)methyl 2-hydroxy-3-methylbutanoate
| Internal ID | 7b512ed7-136c-4820-a101-4b5d56008020 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (6-ethenyl-4-hydroxy-3-methylidene-2-oxo-5-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-6-yl)methyl 2-hydroxy-3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O6/c1-7-20(9-25-19(24)16(21)11(4)5)8-13-14(12(6)18(23)26-13)17(22)15(20)10(2)3/h7,11,13-17,21-22H,1-2,6,8-9H2,3-5H3 |
| InChI Key | HRYXJJKCFHXWLC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.37% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.44% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.26% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.73% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.96% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.75% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.61% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.47% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.20% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.16% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.74% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.68% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.20% | 97.50% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.13% | 83.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.09% | 95.89% |
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.
| Schkuhria schkuhrioides |
| PubChem | 13858231 |
| LOTUS | LTS0059299 |
| wikiData | Q105032908 |