5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
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5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
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CAS No:
15835-74-2
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Formula:
C18H16O8
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Chemical Name:
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
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Synonyms:
4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-;Flavone,3′,5,7-trihydroxy-4′,6,8-trimethoxy-;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one;Acerosin
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CAS No:
Description
ChEBI: A trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively.
Solid
Acerosin is a trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively. It has a role as a metabolite. It is a trihydroxyflavone and a trimethoxyflavone.
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one Basic Attributes
360.318
360.31
DTXSID30166406
2914509090
Characteristics
115
2.60260
Solid
1.461g/cm3
239-241 °C
668.8ºC at 760mmHg
246.3ºC
1.649
56.1 mg/L @ 25 °C (est)
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Computed Properties
Molecular Weight:360.3
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:360.08451746
Monoisotopic Mass:360.08451746
Topological Polar Surface Area:115
Heavy Atom Count:26
Complexity:549
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
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