ChemicalBook--->CAS DataBase List--->2174-59-6

2174-59-6

2174-59-6 Structure

2174-59-6 Structure
IdentificationBack Directory
[Name]

5-DEMETHYLNOBILETIN
[CAS]

2174-59-6
[Synonyms]

5-DEMETHYLNOBILETIN
5-DIMETHYLNOBILETIN
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-one
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-
[Molecular Formula]

C20H20O8
[MDL Number]

MFCD08458849
[MOL File]

2174-59-6.mol
[Molecular Weight]

388.37
Chemical PropertiesBack Directory
[Melting point ]

145-146℃
[Boiling point ]

601.4±55.0 °C(Predicted)
[density ]

1.304±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Soluble in methan
[form ]

powder
[pka]

6.81±0.40(Predicted)
[color ]

Yellow
[Major Application]

food and beverages
[InChI]

InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3
[InChIKey]

DOFJNFPSMUCECH-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(OC)C(OC)=C2)OC2=C(OC)C(OC)=C(OC)C(O)=C2C(=O)C=1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-one is used in the treatment of neurodegenerative and metabolic disorders
[Definition]

ChEBI: Demethylnobiletin is an ether and a member of flavonoids.
[target]

COX | LOX
Spectrum DetailBack Directory
[Spectrum Detail]

5-DEMETHYLNOBILETIN(2174-59-6)1HNMR
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