(3,4a,5-Trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate
| Internal ID | 1a93810a-8959-4d09-b1e7-d07f53224b94 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O4/c1-6-11(2)18(21)24-17-16-13(4)19(22)23-15(16)10-14-9-7-8-12(3)20(14,17)5/h6,9-10,12,17H,7-8H2,1-5H3 |
| InChI Key | IUILTPPQAYRTKI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (3,4a,5-Trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/34a5-trimethyl-2-oxo-4567-tetrahydrobenzof1benzofuran-4-yl-2-methylbut-2-enoate.jpg "2D Structure of (3,4a,5-Trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate")
| 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 | 97.90% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.06% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.04% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.02% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.61% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.99% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.82% | 94.80% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.13% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.70% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.35% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.74% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.61% | 93.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.14% | 96.09% |
| CHEMBL5028 | O14672 | ADAM10 | 80.05% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.02% | 99.17% |
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.
| Euryops arabicus |
| PubChem | 162904008 |
| LOTUS | LTS0118372 |
| wikiData | Q105120586 |