1-Phenyl-3-(2,4,6-trihydroxyphenyl)propan-1-one

Details

• Internal ID: b1310b8f-7ad8-4e5d-969b-74bd9ac8250a
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones
• IUPAC Name: 1-phenyl-3-(2,4,6-trihydroxyphenyl)propan-1-one
• InChI: InChI=1S/C15H14O4/c16-11-8-14(18)12(15(19)9-11)6-7-13(17)10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
• InChI Key: MJMLIDPLFUKOQV-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.27 g/mol
• Exact Mass: 258.08920892 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 2.40

Synonyms

• 1-Phenyl-3-(2,4,6-trihydroxyphenyl)propan-1-one
• SCHEMBL11872629
• DTXSID10720161

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	94.10%	91.11%
CHEMBL240	Q12809	HERG	93.33%	89.76%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.25%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.69%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.51%	99.17%
CHEMBL2581	P07339	Cathepsin D	87.31%	98.95%
CHEMBL2535	P11166	Glucose transporter	86.81%	98.75%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.09%	94.62%
CHEMBL4208	P20618	Proteasome component C5	84.04%	90.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.92%	100.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.51%	95.50%

Plants that contains it

• Etlingera littoralis

Cross-Links

• PubChem: 57048077
• LOTUS: LTS0029030
• wikiData: Q82658755