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93413-06-0

93413-06-0 structural image
Product Name: asperlicin C
Formula: C25H18N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 406.4 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 406.14297583 g/mol
Monoisotopic Mass 406.14297583 g/mol
Topological Polar Surface Area 77.6 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 767
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Asperlicin C is a member of the class of asperlicins in which the core 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione skeleton is substituted at the 7 pro-S position by an indol-3-ylmethyl group. It is a cholecystokinin antagonist. It has a role as a cholecystokinin antagonist and an Aspergillus metabolite. It is an organic heterotetracyclic compound, a member of asperlicins and a member of indoles.