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1859-87-6

1859-87-6 structural image
Product Name: ECHINULIN
Formula: C29H39N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 461.6 g/mol
XLogP3 7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 461.30422750 g/mol
Monoisotopic Mass 461.30422750 g/mol
Topological Polar Surface Area 74 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 834
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Echinulin is an indole alkaloid with formula C29H39N3O2. It is a fungal metabolite found in several Aspergillus species. It has a role as an Aspergillus metabolite, a marine metabolite and a plant metabolite. It is a member of indoles, a member of 2,5-diketopiperazines, an olefinic compound and an indole alkaloid.