1-Phenyl-3-(2,3,4,5-tetrahydroxyphenyl)prop-2-en-1-one

Details

• Internal ID: 3343dd0c-2745-43ea-a667-2cee54a3bb95
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retrochalcones
• IUPAC Name: 1-phenyl-3-(2,3,4,5-tetrahydroxyphenyl)prop-2-en-1-one
• InChI: InChI=1S/C15H12O5/c16-11(9-4-2-1-3-5-9)7-6-10-8-12(17)14(19)15(20)13(10)18/h1-8,17-20H
• InChI Key: VHMZOJZWCDPECI-UHFFFAOYSA-N
• Popularity: 103 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₅
• Molecular Weight: 272.25 g/mol
• Exact Mass: 272.06847348 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 2.30

Synonyms

There are no found synonyms.

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	98.14%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.02%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.99%	86.33%
CHEMBL3194	P02766	Transthyretin	91.59%	90.71%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	87.10%	94.62%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.50%	95.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.94%	99.17%
CHEMBL2581	P07339	Cathepsin D	82.82%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	82.26%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	82.19%	94.73%
CHEMBL2535	P11166	Glucose transporter	82.06%	98.75%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.99%	91.71%
CHEMBL4208	P20618	Proteasome component C5	80.40%	90.00%

Plants that contains it

• Populus cathayana

Cross-Links

• PubChem: 129629293
• LOTUS: LTS0071397
• wikiData: Q105286515