2,4,2',4'-Tetrahydroxychalcone

Details

• Internal ID: 86f78352-6b81-47db-ab3c-efcd472a56f4
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-1,3-bis(2,4-dihydroxyphenyl)prop-2-en-1-one
• SMILES (Canonical): C1=CC(=C(C=C1O)O)C=CC(=O)C2=C(C=C(C=C2)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O
• InChI: InChI=1S/C15H12O5/c16-10-3-1-9(14(19)7-10)2-6-13(18)12-5-4-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-2+
• InChI Key: ZWTDXYUDJYDHJR-QHHAFSJGSA-N
• Popularity: 10 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: 2.80

Synonyms

• 2,2',4,4'-tetrahydroxychalcone
• CHEMBL394855
• D0BH2T
• SCHEMBL675094
• 2,2'',4,4''-tetrahydroxychalcone
• 2,4,2'',4''-tetrahydroxychalcone
• BDBM50203985
• LMPK12120128
• 2,2',4,4'-Tetrahydroxy-trans-chalcone
• PD148015

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1973	P14679	Tyrosinase	70 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.21%	91.11%
CHEMBL3194	P02766	Transthyretin	95.57%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.59%	95.56%
CHEMBL2581	P07339	Cathepsin D	87.17%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.32%	86.33%
CHEMBL4208	P20618	Proteasome component C5	85.79%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.78%	89.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.11%	93.40%
CHEMBL2535	P11166	Glucose transporter	81.43%	98.75%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.26%	91.71%
CHEMBL3401	O75469	Pregnane X receptor	80.02%	94.73%

Plants that contains it

• Broussonetia papyrifera
• Morus mongolica
• Morus nigra

Cross-Links

• PubChem: 10107266
• NPASS: NPC267552
• ChEMBL: CHEMBL394855
• LOTUS: LTS0175467
• wikiData: Q76415138