3-Deoxysappanchalcone

Category	Influenza Virus
CAS	112408-67-0
Description	3-Deoxysappanchalcone, coming from the heartwood of Caesalpinia sappan Linn, may be an effective HO-1 inducer at the translational level that has anti-inflammatory effects, and a valuable compound for modulating inflammatory conditions. Anti-influenza virus mechanisms of 3-Deoxysappanchalcone involved anti-apoptosis and anti-inflammation activities in vitro. Moreover, 3-Deoxysappanchalcone could be a promising drug candidate for influenza treatment. The inhibitory activity of 3-Deoxysappanchalcone on MMP-9 expression and production in TNF-α-treated cells was found to be mediated by the suppression of AP-1 and NF-κB activation.

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Synonyms	3-Deoxysappanchalcone; 2'-O-Methylisoliquiritigenin; 112408-67-0; 4,4'-dihydroxy-2'-methoxychalconeIsoliquiritigenin 2'-methy ether
IUPAC Name	(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight	270.3
Molecular Formula	C16H14O4
Canonical SMILES	COC1=C(C=CC(=C1)O)C(=O)C=CC2=CC=C(C=C2)O
InChI	InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+
InChIKey	PACBGANPVNHGNP-RUDMXATFSA-N
Boiling Point	527.1±50.0 °C at 760 mmHg
Melting Point	210 - 212 °C
Flash Point	200.5±23.6 °C
Purity	>98%
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	Powder
Application	Anti-inflammatory
Storage	Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Complexity	344
Exact Mass	270.089203
Index Of Refraction	1.658
Target	Influenza Virus(IC50: 1.06 μM (H3N2))
Vapor Pressure	0.0±1.4 mmHg at 25°C
XLogP3-AA	3