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491-64-5

491-64-5 structural image
Product Name: isogentisin
Formula: C14H10O5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 241 °C

COMPUTED DESCRIPTORS

Molecular Weight 258.23 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 258.05282342 g/mol
Monoisotopic Mass 258.05282342 g/mol
Topological Polar Surface Area 76 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 358
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

Isogentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether.