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855-96-9

855-96-9 Structure

855-96-9 Structure
IdentificationMore
[Name]

3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE
[CAS]

855-96-9
[Synonyms]

3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE
5,3'-DIHYDROXY-6,7,4'-TRIMETHOXYFLAVONE
EUPATORIN
EUPATORIN 97%
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
6-Hydroxyluteolin 4',6,7-trimethyl ether
[EINECS(EC#)]

663-133-9
[Molecular Formula]

C18H16O7
[MDL Number]

MFCD00016929
[Molecular Weight]

344.32
[MOL File]

855-96-9.mol
Chemical PropertiesBack Directory
[Melting point ]

194-196°C
[Boiling point ]

587.0±50.0 °C(Predicted)
[density ]

1.387±0.06 g/cm3(Predicted)
[storage temp. ]

room temp
[solubility ]

DMSO: >10mg/mL
[form ]

powder
[pka]

6.31±0.40(Predicted)
[color ]

white to beige
[Water Solubility ]

Insoluble in water. Soluble in chloroform and methanol.
[Merck ]

14,3901
[BRN ]

1355109
[InChI]

1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
[InChIKey]

KLAOKWJLUQKWIF-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1O)C2=CC(=O)c3c(O)c(OC)c(OC)cc3O2
[LogP]

2.960 (est)
[CAS DataBase Reference]

855-96-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

1
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Yellow Solid
[Uses]

3',5-Dihydroxy-4',6,7-trimethoxyflavone is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
[Uses]

Eupatorin is a flavanoid with antiproliferative activity in cells expressing the CYP1 family. Eupatorin also displays antioxidant and anti-inflammatory activity.
[Definition]

ChEBI: Eupatorin is a trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. It has a role as a Brassica napus metabolite, an apoptosis inducer, a vasodilator agent, a calcium channel blocker, an anti-inflammatory agent, a P450 inhibitor and an antineoplastic agent. It is a dihydroxyflavone, a trimethoxyflavone and a polyphenol. It is functionally related to a 6-hydroxyluteolin.
[Biological Activity]

Eupatorin acts as an antiproliferative in cells expressing the CYP1A- family. It induces G2/M block follow by apoptosis in cells expressing the CYP1A- family. It also functions as an anti-inflammatory.
Spectrum DetailBack Directory
[Spectrum Detail]

3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONE(855-96-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3',5-Dihydroxy-4',6,7-trimethoxyflavone, 97%(855-96-9)
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