3,5-Dihydroxyphenyl n-butyl ketone

Details

• Internal ID: 554b831c-bee8-4809-a404-d04ab9c192d3
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-(3,5-dihydroxyphenyl)pentan-1-one
• InChI: InChI=1S/C11H14O3/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8/h5-7,12-13H,2-4H2,1H3
• InChI Key: YWEKAJDDLGWRPZ-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23 g/mol
• Exact Mass: 194.094294304 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.30

Synonyms

• SCHEMBL23638991
• 3,5-dihydroxyphenyl n-butyl ketone

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
CHEMBL3060	Q9Y345	Glycine transporter 2	95.19%	99.17%
CHEMBL2581	P07339	Cathepsin D	94.65%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.94%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.72%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.03%	86.33%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.36%	90.71%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	83.83%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.81%	96.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.54%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.12%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9430208
• LOTUS: LTS0076670
• wikiData: Q105366485