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Glycyrol

Glycyrol structure

Glycyrol 

structure
  • CAS No:

    23013-84-5

  • Formula:

    C21H18O6

  • Chemical Name:

    Glycyrol

  • Synonyms:

    6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-;6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-1-methoxy-2-(3-methyl-2-butenyl)-;3,9-Dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-6-one;Glycyrol;Neoglycyrol

  • Categories:

    Natural Products  >  Coumarin and Derivatives

Description

Neoglycyrol is isolated from the root of Glycyrrhiza uralensis Fisch[1]. Neoglycyrol is a potential myocardial protection active compound screened from traditional patent medicine Tongmai Yangxin pill (TMYXP)[2].


Solid


Glycyrol is a member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 1 and 9, a methoxy group at position 3 and a prenyl group at position 2 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a member of coumestans, a polyphenol, a delta-lactone and an aromatic ether. It derives from a coumestan.

Glycyrol Basic Attributes

366.367

366.36

DTXSID00177569

Characteristics

89.1

5.45

1.4±0.1 g/cm3

263.5-265 °C

493.1±45.0 °C at 760 mmHg

252.0±28.7 °C

1.667

Drug Information

neoglycyrol

Computed Properties

Molecular Weight:366.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:366.11033829
Monoisotopic Mass:366.11033829
Topological Polar Surface Area:89.1
Heavy Atom Count:27
Complexity:600
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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