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552-54-5

552-54-5 structural image
Product Name: 3,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE
Formula: C17H14O7
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COMPUTED DESCRIPTORS

Molecular Weight 330.29 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 330.07395278 g/mol
Monoisotopic Mass 330.07395278 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 517
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

Rhamnacene is a dimethoxyflavone that is quercetin in which the hydroxy groups at the 3' and 7 positions have been replaced by methoxy groups. It has a role as a plant metabolite and an antineoplastic agent. It is a dimethoxyflavone, a trihydroxyflavone, an aromatic ether and a member of phenols. It is functionally related to a quercetin. It is a conjugate acid of a rhamnacene-3-olate.