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Home > Encyclopedia > 6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one

6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one

6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one structure

6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one 

structure
  • CAS No:

    483-90-9

  • Formula:

    C16H20O6

  • Chemical Name:

    6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one

  • Synonyms:

    2H-1-Benzopyran-2-one,6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-;Coumarin,6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-;Toddalolactone;2H-1-Benzopyran-2-one,6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-,(R)-;6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one;(+)-Toddalolactone

  • Categories:

    Biochemical Engineering  >  Plant Extracts

Description

Toddalolactone, a main component of Toddalia asiatica, inhibits the activity of recombinant human plasminogen activator inhibitor-1 (PAI-1), with an IC50 value of 37.31 μM[1].

6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one Basic Attributes

308.33

308.33

DTXSID00197484

Characteristics

89.13000

0.88

1.3±0.1 g/cm3

530.0±50.0 °C at 760 mmHg

195.5±23.6 °C

1.569

4.61E-12mmHg at 25°C

Drug Information

toddalolactone

Computed Properties

Molecular Weight:308.33
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:308.12598835
Monoisotopic Mass:308.12598835
Topological Polar Surface Area:85.2
Heavy Atom Count:22
Complexity:432
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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