ChemicalBook--->CAS DataBase List--->96862-01-0

96862-01-0

96862-01-0 Structure

96862-01-0 Structure
IdentificationBack Directory
[Name]

Quercetin 3-O-malonylglucoside
[CAS]

96862-01-0
[Synonyms]

Quercetin 3-O-malonylglucoside
Quercetin 3-O-(6''-O-malonyl)-β-D-glucoside
Quercetin 3-O-(6?″-O-malonyl)-β-D-glucoside
quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Quercetin-3-O-(6-O-malonyl-b-Dglucopyranoside
quercetin 3-O-β-D-(6''-O-malonyl)-glucopyranoside
Quercetin 3-?O-?(6''-?O-?Malonyl)?-?β-?D-?glucoside
4H-1-Benzopyran-4-one, 3-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
3-(((2R,3S,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-3-oxopropanoic acid
[Molecular Formula]

C24H22O15
[MDL Number]

MFCD20527305
[MOL File]

96862-01-0.mol
[Molecular Weight]

550.42
Chemical PropertiesBack Directory
[Melting point ]

195-201 °C
[Boiling point ]

957.2±65.0 °C(Predicted)
[density ]

1.86±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO (Slightly), Water (Slightly, Heated)
[form ]

Solid
[pka]

2.70±0.32(Predicted)
[color ]

Pale Yellow to Light Yellow
[BRN ]

6625918
[Stability:]

Hygroscopic
[InChIKey]

NBQPHANHNTWDML-UJKBSQBPSA-N
[SMILES]

O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@@H]1O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

Quercetin 3-?O-?(6''''-?O-?Malonyl)?-?β-?D-?glucoside is a Quercetin (Q509500), a flavonoid with anticancer activity. It is a mitochondrial ATPase and phosphodiesterase inhibitor. It Inhibits PI3-kinase activity and slightly inhibits PIP kinase activity.
[Definition]

ChEBI: A quercetin O-glucoside that is quercetin attached to a 6-O-malonyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage.
[Biological Activity]

Metabolite in flavone and flavonol biosynthesisis found in plants like the fruit peel of Sicana odorifera and mulberry leavesshows antioxidant activity. Q3MG also potentially has antiatherogenic protective effects; and found to improve hyperglycemia in obese mice and reduced oxidative stress in the liver.
Spectrum DetailBack Directory
[Spectrum Detail]

Quercetin 3-O-malonylglucoside(96862-01-0)1HNMR
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