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548-54-9

548-54-9 structural image
Product Name: violacein
Formula: C20H13N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 343.3 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 343.09569129 g/mol
Monoisotopic Mass 343.09569129 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 753
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

Violacein is a member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 5-hydroxy-1H-indol-3-yl group, where the newly-formed double bond has E configuration. It is a purple chromobacterial pigment that has antibacterial, antifungal, antiprotozoan, and anticancer properties. It has a role as a bacterial metabolite, an antineoplastic agent, an apoptosis inducer, an antibacterial agent and an antifungal agent. It is a member of hydroxyindoles, a member of pyrroles, a member of oxindoles and an olefinic compound. It is functionally related to a proviolacein.