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21887-01-4

21887-01-4 structural image
Product Name: horminone
Formula: C20H28O4
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COMPUTED DESCRIPTORS

Molecular Weight 332.4 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 332.19875937 g/mol
Monoisotopic Mass 332.19875937 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 680
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Horminone is an abietane diterpenoid that is abieta-8,12-diene substituted by hydroxy groups at positions 7 and 12 and oxo groups at positions 11 and 14 (the 7alpha stereoisomer). It has a role as an antibacterial agent, an antineoplastic agent and a metabolite. It is an abietane diterpenoid, a secondary alcohol, a hydroxyquinone and a member of p-quinones.