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146389-62-0

146389-62-0 structural image
Product Name: zaragozic acid C
Formula: C40H50O14
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COMPUTED DESCRIPTORS

Molecular Weight 754.8 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 22
Exact Mass 754.32005626 g/mol
Monoisotopic Mass 754.32005626 g/mol
Topological Polar Surface Area 223 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1340
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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

Zaragozic acid C is a polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase. It has a role as an EC 2.5.1.21 (squalene synthase) inhibitor and a fungal metabolite. It is an acetate ester, a cyclic ketal, an oxabicycloalkane, a polyketide, a tertiary alcohol and a tricarboxylic acid.