1-[2-(1-Hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
| Internal ID | 4684e83b-547d-4a57-8814-f3f8b1046fed |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Acetophenones |
| IUPAC Name | 1-[2-(1-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone |
| SMILES (Canonical) | CC(CO)C1CC2=C(O1)C=CC(=C2)C(=O)C |
| SMILES (Isomeric) | CC(CO)C1CC2=C(O1)C=CC(=C2)C(=O)C |
| InChI | InChI=1S/C13H16O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,8,13-14H,6-7H2,1-2H3 |
| InChI Key | HGBVBPVTPLNHEP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 g/mol |
| Exact Mass | 220.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 1-[2-(1-Hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-1-hydroxypropan-2-yl-23-dihydro-1-benzofuran-5-ylethanone.jpg "2D Structure of 1-[2-(1-Hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.37% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.91% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.73% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.25% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.78% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.86% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.78% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.23% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.18% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.28% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.99% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.71% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.30% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.83% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.71% | 97.25% |
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.
| Artemisia monosperma |
| PubChem | 14730830 |
| LOTUS | LTS0161043 |
| wikiData | Q105027679 |