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52659-57-1

52659-57-1 structural image
Product Name: aplysiatoxin
Formula: C32H47BrO10
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COMPUTED DESCRIPTORS

Molecular Weight 671.6 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 670.23526 g/mol
Monoisotopic Mass 670.23526 g/mol
Topological Polar Surface Area 141 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 993
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aplysiatoxin is the parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. It has a role as a carcinogenic agent, a cyanotoxin, a protein kinase C agonist, a marine metabolite and an algal metabolite. It is a member of aplysiatoxins, a cyclic hemiketal, an ether, a secondary alcohol, a bromophenol, an organic heterotricyclic compound and a spiroketal.