4-(4-Acetyloxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl acetate
| Internal ID | 216fd5aa-5d7c-47b6-ab50-770ea32a79dc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 4-(4-acetyloxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl)pentyl acetate |
| SMILES (Canonical) | CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C)C(C)CCCOC(=O)C |
| SMILES (Isomeric) | CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)C)C(C)CCCOC(=O)C |
| InChI | InChI=1S/C19H26O6/c1-10(7-6-8-23-13(4)20)16-11(2)9-15-17(12(3)19(22)25-15)18(16)24-14(5)21/h10,15,17-18H,3,6-9H2,1-2,4-5H3 |
| InChI Key | MVCCWTMPDBIKCJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26O6 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 1.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.23% | 96.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.03% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.26% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.14% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.76% | 98.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.70% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.59% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.38% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.91% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.40% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.40% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.33% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.94% | 90.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.60% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.19% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.09% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.56% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.70% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.35% | 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.
| Pentanema britannicum |
| Rhynchosia volubilis |
| PubChem | 25018669 |
| LOTUS | LTS0081600 |
| wikiData | Q105172903 |