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ISOTAXIRESINOL

ISOTAXIRESINOL structure

ISOTAXIRESINOL 

structure
  • CAS No:

    26194-57-0

  • Formula:

    C19H22O6

  • Chemical Name:

    ISOTAXIRESINOL

  • Synonyms:

    ISOTAXIRESINOL

  • Categories:

    Natural Products  >  Lignans

Description

Isotaxiresinol is a lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a pentol, a polyphenol and a primary alcohol.

ISOTAXIRESINOL Basic Attributes

346.37438

346.142

Characteristics

110

1.7

1.348±0.06 g/cm3(Predicted)

171 °C

Drug Information

isotaxiresinol

Computed Properties

Molecular Weight:346.4
XLogP3:1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:346.14163842
Monoisotopic Mass:346.14163842
Topological Polar Surface Area:110
Heavy Atom Count:25
Complexity:432
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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