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Quercetin 3,7-dimethyl ether

Quercetin 3,7-dimethyl ether structure

CAS No:
2068-02-2
Formula:
C17H14O7
Chemical Name:
Quercetin 3,7-dimethyl ether
Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-;Flavone,3′,4′,5-trihydroxy-3,7-dimethoxy-;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one;3,7-Di-O-methylquercetin;Quercetin 3,7-dimethyl ether;3,7-Dimethylquercetin;5,3′,4′-Trihydroxy-3,7-dimethoxyflavone;3′,4′,5-Trihydroxy-3,7-dimethoxyflavone;3,7-Dimethoxy-3′,4′,5-trihydroxyflavone;Quercetin 3,7-di-O-methyl ether;3,7-Dimethoxy-5,3′,4′-trihydroxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
Categories:
Natural Products > Flavonoids

Description

ChEBI: A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin.

3',4',5-trihydroxy-3,7-dimethoxyflavone is a dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. It has a role as an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and a metabolite. It is a trihydroxyflavone and a dimethoxyflavone. It derives from a quercetin. It is a conjugate acid of a 3',4',5-trihydroxy-3,7-dimethoxyflavone(1-).

Quercetin 3,7-dimethyl ether Basic Attributes

Molecular Weight：

330.28886

Exact Mass：

330.29

EC Number：

218-187-4

UNII：

V8R92XSR1M

DSSTox ID：

DTXSID40174734

HScode：

2914509090

Characteristics

PSA：

105

XLogP3：

2.8

Density：

1.55g/cm3

Melting Point：

234-235 °C @ Solvent: Benzene

Boiling Point：

631.5ºC at 760mmHg

Flash Point：

236.8ºC

Refractive Index：

1.7

Vapor Pressure：

1.53E-16mmHg at 25°C

Drug Information

MeSH Entry Terms：

3,7-dimethoxy-5,3',4'-trihydroxyflavone

Quercetin 3,7-dimethyl ether Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Computed Properties

Molecular Weight:330.29
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:330.07395278
Monoisotopic Mass:330.07395278
Topological Polar Surface Area:105
Heavy Atom Count:24
Complexity:517
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Quercetin 3,7-dimethyl ether

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Quercetin 3,7-dimethyl ether

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