6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one
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6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one
structure -
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CAS No:
483-90-9
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Formula:
C16H20O6
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Chemical Name:
6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one
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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
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CAS No:
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
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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6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one
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