2',3-Dihydroxy-4,4',6'-trimethoxychalcone

Details

• Internal ID: fcb9c363-4077-459c-b784-b304260209bd
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• InChI: InChI=1S/C18H18O6/c1-22-12-9-15(21)18(17(10-12)24-3)13(19)6-4-11-5-7-16(23-2)14(20)8-11/h4-10,20-21H,1-3H3/b6-4+
• InChI Key: WMOWJHFPSNZXSK-GQCTYLIASA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₈O₆
• Molecular Weight: 330.30 g/mol
• Exact Mass: 330.11033829 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 3.40

Synonyms

• 38186-71-9
• 3,2'-DIHYDROXY-4,4',6'-TRIMETHOXYCHALCONE
• (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• 3,2//'-Dihydroxy-4,4//',6//'-trimethoxychalcone
• 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
• 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
• 121245-87-2
• D83U9GSW4Z
• SPECTRUM1505153
• CHEMBL571087
• SCHEMBL2287800
• WMOWJHFPSNZXSK-GQCTYLIASA-N
• DTXSID201345754
• LMPK12120327
• AKOS024286707
• CCG-214052
• NCGC00096038-01
• RO 09-0444
• AQ-358/42003065
• Chalcone, 2',3-dihydroxy-4,4',6'-trimethoxy-
• SR-05000002591
• SR-05000002591-1
• 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone, AldrichCPR
• (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
• (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one #
• 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-, (2E)-
• Hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one, 1-(2-

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	95.16%	90.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.59%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.10%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.09%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.90%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.71%	96.00%
CHEMBL4208	P20618	Proteasome component C5	91.22%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.51%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.47%	95.50%
CHEMBL2535	P11166	Glucose transporter	85.08%	98.75%
CHEMBL1929	P47989	Xanthine dehydrogenase	84.86%	96.12%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.42%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.90%	89.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.14%	91.07%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.96%	91.71%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.03%	92.94%

Plants that contains it

• Murraya caloxylon

Cross-Links

• PubChem: 5379071
• LOTUS: LTS0076634
• wikiData: Q76305885