3-[[(2R)-4,6-dihydroxy-5-[(2R)-2-methylbutanoyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one
| Internal ID | a8445cdb-a8b2-46cd-bf3a-3c75bbc0a105 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Butyrophenones |
| IUPAC Name | 3-[[(2R)-4,6-dihydroxy-5-[(2R)-2-methylbutanoyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O7/c1-7-12(5)20(26)19-22(28)14(24-15(23(19)29)10-18(31-24)11(3)4)9-16-21(27)13(6)17(8-2)32-25(16)30/h12,18,27-29H,3,7-10H2,1-2,4-6H3/t12-,18-/m1/s1 |
| InChI Key | IWSMQZHOBSLDCV-KZULUSFZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H30O7 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 3-[[(2R)-4,6-dihydroxy-5-[(2R)-2-methylbutanoyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5e279660-862d-11ee-8860-7571ce1944fa.jpg "2D Structure of 3-[[(2R)-4,6-dihydroxy-5-[(2R)-2-methylbutanoyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.96% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.10% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.06% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.97% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.50% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.11% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.01% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.90% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.55% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.24% | 93.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.48% | 93.65% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.27% | 96.37% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.38% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.36% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.83% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.20% | 94.33% |
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.
| Helichrysum cephaloideum |
| PubChem | 162929537 |
| LOTUS | LTS0082732 |
| wikiData | Q105121846 |