2',4'-Dimethoxy-4-hydroxychalcone

Details

• Internal ID: 02a3a4a0-0c2c-4d6c-b220-359d11459558
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
• IUPAC Name: 1-(2,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• SMILES (Canonical): COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O)OC
• SMILES (Isomeric): COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O)OC
• InChI: InChI=1S/C17H16O4/c1-20-14-8-9-15(17(11-14)21-2)16(19)10-5-12-3-6-13(18)7-4-12/h3-11,18H,1-2H3
• InChI Key: ATHWOBRNXTYZEM-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₄
• Molecular Weight: 284.31 g/mol
• Exact Mass: 284.10485899 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.30

Synonyms

• 2',4'-Dimethoxy-4-hydroxychalcone

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	96.23%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.16%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.98%	86.33%
CHEMBL4208	P20618	Proteasome component C5	92.79%	90.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.61%	96.09%
CHEMBL2535	P11166	Glucose transporter	90.48%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.48%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.07%	96.00%
CHEMBL3194	P02766	Transthyretin	89.96%	90.71%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.14%	95.50%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.49%	91.71%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.62%	91.07%

Plants that contains it

• Koompassia malaccensis

Cross-Links

• PubChem: 185535
• LOTUS: LTS0219387
• wikiData: Q104918427