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Azaleatin

Azaleatin structure

CAS No:
529-51-1
Formula:
C16H12O7
Chemical Name:
Azaleatin
Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-;Flavone,3,3′,4′,7-tetrahydroxy-5-methoxy-;2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one;Azaleatin;Quercetin 5-methyl ether;5-O-Methylquercetin;3,3′,4′,7-Tetrahydroxy-5-methoxyflavone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group.

Azaleatin is a monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group. It has a role as a plant metabolite. It is a 7-hydroxyflavonol, a tetrahydroxyflavone and a monomethoxyflavone. It derives from a quercetin.

Azaleatin Basic Attributes

Molecular Weight：

316.26200

Exact Mass：

316.26

UNII：

SO52512D8G

DSSTox ID：

DTXSID80200945

HScode：

2914509090

Characteristics

PSA：

120.36000

XLogP3：

2.29100

Density：

1.634g/cm3

Melting Point：

305-308 °C

Boiling Point：

657.3ºC at 760mmHg

Flash Point：

250.2ºC

Refractive Index：

1.74

Azaleatin Use and Manufacturing

Uses

As O-Methylated analogue of the flavanoid Quercertin (Q509500), 5-O-Methyl Quercetin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-5-Methoxy-4H-1-benzopyran-4-one is a small molecule inhibitor of NADPH Oxidase 4 enzyme. It is used in studies of flavonoid structure requirement for the increment of ocular blood flow in the rabbit and retinal function recovery in rat eyes.

Use Classification：

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

Computed Properties

Molecular Weight:316.26
XLogP3:1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:316.05830272
Monoisotopic Mass:316.05830272
Topological Polar Surface Area:116
Heavy Atom Count:23
Complexity:503
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes