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17313-52-9

17313-52-9 structural image
Product Name: centaureidin
Formula: C18H16O8
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COMPUTED DESCRIPTORS

Molecular Weight 360.3 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 360.08451746 g/mol
Monoisotopic Mass 360.08451746 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 561
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

Centaureidin is a trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme. It has a role as a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an antineoplastic agent and a plant metabolite. It is a trihydroxyflavone and a trimethoxyflavone.