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94344-54-4

94344-54-4 structural image
Product Name: sappanchalcone
Formula: C16H14O5
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COMPUTED DESCRIPTORS

Molecular Weight 286.28 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 286.08412354 g/mol
Monoisotopic Mass 286.08412354 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 381
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

Sappanchalcone is a member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4' and a methoxy group at position 2'. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity. It has a role as a metabolite, an antioxidant, an anti-inflammatory agent and an anti-allergic agent. It is a member of chalcones, a member of catechols and a monomethoxybenzene. It is functionally related to a trans-chalcone.