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482-45-1

482-45-1 structural image
Product Name: Isoimperatorin
Formula: C16H14O4
Synonyms: 4-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one;4-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Off-white, light brown solid
Melting Point 98-100 °C
Stability/Shelf Life Stable under recommended storage conditions.
Kovats Retention Index 2394

COMPUTED DESCRIPTORS

Molecular Weight 270.28 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 270.08920892 g/mol
Monoisotopic Mass 270.08920892 g/mol
Topological Polar Surface Area 48.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 436
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

Isoimperatorin is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.