CID 53446072

Details

• Internal ID: 9ec07135-2396-41fb-977b-2fba091f7dd5
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives
• IUPAC Name: 4-(3,4-dihydroxyphenyl)but-3-en-2-one
• InChI: InChI=1S/C10H10O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h2-6,12-13H,1H3
• InChI Key: YIFZKRGUGKLILR-UHFFFAOYSA-N
• Popularity: 28 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18 g/mol
• Exact Mass: 178.062994177 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.80

Synonyms

• AKOS017347041
• FT-0775367

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.38%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.57%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.87%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.35%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.64%	89.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.49%	96.00%
CHEMBL3194	P02766	Transthyretin	85.81%	90.71%
CHEMBL2581	P07339	Cathepsin D	83.91%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	83.85%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.45%	96.09%
CHEMBL4208	P20618	Proteasome component C5	82.43%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 53446072
• LOTUS: LTS0123638
• wikiData: Q82635428