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86702-02-5

86702-02-5 structural image
Product Name: MAGNOSHININ
Formula: C24H30O6
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COMPUTED DESCRIPTORS

Molecular Weight 414.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 414.20423867 g/mol
Monoisotopic Mass 414.20423867 g/mol
Topological Polar Surface Area 55.4 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 580
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Magnoshinin is a neolignan that consists of 1,2-dihydronaphthalene substituted by a 2,4,5-trimethoxyphenyl group at position 1 (the 1S,2R stereoisomer), methyl groups at positions 2 and 3, and methoxy groups at positions 5, 7 and 8 respectively. It has a role as an anti-inflammatory agent and a metabolite. It is a member of methoxybenzenes, a member of naphthalenes and a neolignan.