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855-96-9

855-96-9 structural image
Product Name: 3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE
Formula: C18H16O7
Synonyms: 3′,5-Dihydroxy-4′,6,7-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one;6-Methoxyluteolin 4′,7-dimethyl ether;NSC 106402
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 3422.3

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 344.3 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 344.08960285 g/mol
Monoisotopic Mass 344.08960285 g/mol
Topological Polar Surface Area 94.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 520
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Eupatorin is a trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. It has a role as a Brassica napus metabolite, an apoptosis inducer, a vasodilator agent, a calcium channel blocker, an anti-inflammatory agent, a P450 inhibitor and an antineoplastic agent. It is a dihydroxyflavone, a trimethoxyflavone and a polyphenol. It is functionally related to a 6-hydroxyluteolin.