1-[5-Acetyl-2-(2-hydroxypropan-2-yl)-1-benzofuran-7-yl]-3-methylbutan-1-one
| Internal ID | 9801fcb6-2b07-4951-a6ce-3b49e82e6649 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Butyrophenones |
| IUPAC Name | 1-[5-acetyl-2-(2-hydroxypropan-2-yl)-1-benzofuran-7-yl]-3-methylbutan-1-one |
| SMILES (Canonical) | CC(C)CC(=O)C1=C2C(=CC(=C1)C(=O)C)C=C(O2)C(C)(C)O |
| SMILES (Isomeric) | CC(C)CC(=O)C1=C2C(=CC(=C1)C(=O)C)C=C(O2)C(C)(C)O |
| InChI | InChI=1S/C18H22O4/c1-10(2)6-15(20)14-8-12(11(3)19)7-13-9-16(18(4,5)21)22-17(13)14/h7-10,21H,6H2,1-5H3 |
| InChI Key | UCJQNGXPKHJPNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O4 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 67.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 1-[5-Acetyl-2-(2-hydroxypropan-2-yl)-1-benzofuran-7-yl]-3-methylbutan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-5-acetyl-2-2-hydroxypropan-2-yl-1-benzofuran-7-yl-3-methylbutan-1-one.jpg "2D Structure of 1-[5-Acetyl-2-(2-hydroxypropan-2-yl)-1-benzofuran-7-yl]-3-methylbutan-1-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.54% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.48% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.57% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.97% | 92.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.45% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.34% | 96.95% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 87.39% | 87.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.78% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.45% | 81.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.96% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.16% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.22% | 93.65% |
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.
| Ophryosporus macrodon |
| PubChem | 162847354 |
| LOTUS | LTS0126708 |
| wikiData | Q105269951 |