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529-44-2

529-44-2 structural image
Product Name: Myricetin
Formula: C15H10O8
Synonyms: 3,3ʹ,4ʹ,5,5ʹ,7-Hexahydroxyflavone, Hsp70 Inhibitor II;3,3′,4′,5,5′,7-Hexahydroxyflavone;Cannabiscetin;Myricetin - CAS 529-44-2 - Calbiochem;Myricetol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Yellow needles from dilute alcohol
Melting Point 357 °C
Solubility Sparingly soluble in boiling water; soluble in alcohol. Practically insoluble in chloroform, acetic acid
Decomposition When heated to decomposition it emits acrid smoke and irritating vapors.
Collision Cross Section 174.4 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Other Experimental Properties Crystals, mp 213 °C /Hexaacetate/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 318.23 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 1
Exact Mass 318.03756727 g/mol
Monoisotopic Mass 318.03756727 g/mol
Topological Polar Surface Area 148 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 506
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

Myricetin is a hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants. It has a role as a cyclooxygenase 1 inhibitor, an antineoplastic agent, an antioxidant, a plant metabolite, a food component, a hypoglycemic agent and a geroprotector. It is a hexahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a myricetin(1-).