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115063-39-3

115063-39-3 structural image
Product Name: DESMETHYLXANTHOHUMOL
Formula: C20H20O5
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COMPUTED DESCRIPTORS

Molecular Weight 340.4 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 340.13107373 g/mol
Monoisotopic Mass 340.13107373 g/mol
Topological Polar Surface Area 98 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 500
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Desmethylxanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'. It has a role as a plant metabolite. It is a member of chalcones and a 2-acyl-4-prenylphloroglucinol. It is functionally related to a trans-chalcone. It is a conjugate acid of a desmethylxanthohumol(1-).