(2R)-1-(1-benzofuran-5-yl)-2-hydroxypropan-1-one

Details

• Internal ID: 8815c88d-0697-4c05-b13b-3b64c4cb68e8
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: (2R)-1-(1-benzofuran-5-yl)-2-hydroxypropan-1-one
• SMILES (Canonical): CC(C(=O)C1=CC2=C(C=C1)OC=C2)O
• SMILES (Isomeric): C[C@H](C(=O)C1=CC2=C(C=C1)OC=C2)O
• InChI: InChI=1S/C11H10O3/c1-7(12)11(13)9-2-3-10-8(6-9)4-5-14-10/h2-7,12H,1H3/t7-/m1/s1
• InChI Key: JSXXKSYCJPJXOW-SSDOTTSWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.19 g/mol
• Exact Mass: 190.062994177 g/mol
• Topological Polar Surface Area (TPSA): 50.40 Ų
• XlogP: 1.80

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	90.81%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	90.43%	91.49%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	90.33%	90.71%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	89.59%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.48%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.66%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.79%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	80.64%	94.73%
CHEMBL4208	P20618	Proteasome component C5	80.51%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162969058
• LOTUS: LTS0073822
• wikiData: Q105134640