(E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Details

• Internal ID: 59284d04-05e3-4fbc-9997-a86ebdcfe0a0
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• InChI: InChI=1S/C18H18O5/c1-21-13-8-9-14(16(20)11-13)15(19)10-7-12-5-4-6-17(22-2)18(12)23-3/h4-11,20H,1-3H3/b10-7+
• InChI Key: ZPBDKGAFNCLNTD-JXMROGBWSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₈O₅
• Molecular Weight: 314.30 g/mol
• Exact Mass: 314.11542367 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 3.80

Synonyms

• SCHEMBL5138233
• ZPBDKGAFNCLNTD-JXMROGBWSA-N
• (E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• 2'-hydroxi-2,3,4-trimethoxychalcone
• AKOS024287232
• 2'-HYDROXY-2,3,4'-TRIMETHOXYCHALCONE
• 2'-Hydroxy-2,3,4'-trimethoxychalcone, AldrichCPR
• 2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.01%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.88%	91.11%
CHEMBL2535	P11166	Glucose transporter	95.93%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.14%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	93.61%	95.50%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.06%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.14%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.04%	96.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.45%	99.15%
CHEMBL2581	P07339	Cathepsin D	88.99%	98.95%
CHEMBL3194	P02766	Transthyretin	85.28%	90.71%
CHEMBL4208	P20618	Proteasome component C5	84.48%	90.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.40%	91.07%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.36%	94.00%
CHEMBL1255126	O15151	Protein Mdm4	81.33%	90.20%
CHEMBL340	P08684	Cytochrome P450 3A4	80.85%	91.19%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.83%	94.45%

Plants that contains it

• Andrographis macrobotrys

Cross-Links

• PubChem: 5872126
• LOTUS: LTS0194977
• wikiData: Q105380817