Isoscoparin
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Isoscoparin
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CAS No:
20013-23-4
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Formula:
C22H22O11
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Chemical Name:
Isoscoparin
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Synonyms:
4H-1-Benzopyran-4-one,6-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-;Isoscoparin;6-β-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one;Isoorientin 3′-methyl ether;Isoorientin 3′-O-methyl ether;1379538-92-7
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CAS No:
Description
Isoscoparin is a C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6. It has a role as a metabolite. It is a trihydroxyflavone, a monomethoxyflavone, a monosaccharide derivative and a C-glycosyl compound. It derives from a 4',5,7-trihydroxy-3'-methoxyflavone. It is a conjugate acid of an isoscoparin-7-olate.
Computed Properties
Molecular Weight:462.4
XLogP3:0.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:462.11621151
Monoisotopic Mass:462.11621151
Topological Polar Surface Area:186
Heavy Atom Count:33
Complexity:744
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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