1-[2-(1-Hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone
Internal ID | 56a36331-eb6f-447c-8dc0-c19e34c8f5e3 |
Taxonomy | Organoheterocyclic compounds > Benzofurans |
IUPAC Name | 1-[2-(1-hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone |
SMILES (Canonical) | CC(CO)C1=CC2=C(O1)C=CC(=C2)C(=O)C |
SMILES (Isomeric) | CC(CO)C1=CC2=C(O1)C=CC(=C2)C(=O)C |
InChI | InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-6,8,14H,7H2,1-2H3 |
InChI Key | JQXRWQWSAPEQHU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H14O3 |
Molecular Weight | 218.25 g/mol |
Exact Mass | 218.094294304 g/mol |
Topological Polar Surface Area (TPSA) | 50.40 Ų |
XlogP | 1.90 |
There are no found synonyms. |
![2D Structure of 1-[2-(1-Hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone 2D Structure of 1-[2-(1-Hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-1-hydroxypropan-2-yl-1-benzofuran-5-ylethanone.jpg)
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 | 90.29% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.31% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.98% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.27% | 91.11% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.89% | 81.11% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.31% | 90.71% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.55% | 87.67% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.52% | 90.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.61% | 96.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.34% | 86.33% |
CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.90% | 93.33% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.02% | 97.21% |
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 charua |
PubChem | 15690488 |
LOTUS | LTS0106462 |
wikiData | Q105133739 |