4,2',5'-Trihydroxy-4'-methoxychalcone

Details

• Internal ID: 852d0ec5-0cbc-4c02-8d39-e9bfaae2b86b
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: 1-(2,5-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• InChI: InChI=1S/C16H14O5/c1-21-16-9-14(19)12(8-15(16)20)13(18)7-4-10-2-5-11(17)6-3-10/h2-9,17,19-20H,1H3
• InChI Key: HKQPOSPMZXAUSA-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 3.10

Synonyms

• RefChem:96139
• 1-(2,5-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

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
CHEMBL3194	P02766	Transthyretin	96.22%	90.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.90%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.34%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.99%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.70%	96.09%
CHEMBL2535	P11166	Glucose transporter	90.53%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.34%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.60%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.57%	94.45%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.91%	95.50%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.75%	89.62%
CHEMBL2581	P07339	Cathepsin D	82.50%	98.95%
CHEMBL4208	P20618	Proteasome component C5	82.08%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.19%	89.00%

Plants that contains it

• Dalbergia odorifera

Cross-Links

• PubChem: 91586951
• LOTUS: LTS0100141
• wikiData: Q105029871