ChemicalBook--->CAS DataBase List--->6035-49-0

6035-49-0

6035-49-0 Structure

6035-49-0 Structure
IdentificationBack Directory
[Name]

6,7,8-TRIMETHOXYCOUMARIN
[CAS]

6035-49-0
[Synonyms]

DIMETHYLFRAXETIN
Di-O-Methylfraxetin
O,O-DIMETHYLFRAXETIN
DIMETHYLFRAXETIN, O,O-
Dimethylfraxetin, >99%
Fraxetin dimethyl ether
6,7,8-TRIMETHOXYCOUMARIN
DIMETHYLFRAXETIN, O,O-(P)
DIMETHYLFRAXETIN, O,O-(RG)
CouMarin, 6,7,8-triMethoxy-
6,7,8-TriMethoxy-2H-chroMen-2-one
Fraxetin dimethylether (6,7,8-OMe)
2H-1-Benzopyran-2-one,6,7,8-triMethoxy
6,7,8-Trimethoxy-2H-1-benzopyran-2-one
Dimethylfraxetin 6,7,8-Trimethoxycoumarin
6,7,8-TRIMETHOXYCOUMARIN ISO 9001:2015 REACH
[EINECS(EC#)]

200-485-9
[Molecular Formula]

C12H12O5
[MDL Number]

MFCD00145039
[MOL File]

6035-49-0.mol
[Molecular Weight]

236.22
Chemical PropertiesBack Directory
[Melting point ]

104-105°C
[Boiling point ]

338.68°C (rough estimate)
[density ]

1.249
[refractive index ]

1.5140 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO : 125 mg/mL (529.17 mM; Need ultrasonic and warming)
[form ]

Cryst.
[color ]

White to yellow
[biological source]

plant
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
[InChIKey]

RAYQKHLZHPFYEJ-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[Risk Statements ]

22
[Safety Statements ]

22-45
[WGK Germany ]

WGK 3
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

White crystals, soluble in methanol, ethanol, DMSO and other organic solvents, derived from Fraxinuschinensis Roxb.
[Uses]

Dimethylfraxetin has a bactericidal, anti-inflammatory, anti-radiation damage, and immune-enhancing effects.
[Definition]

ChEBI: 6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins.
[Biological Activity]

Dimethylfraxetin is a Carbonic anhydrase inhibitor with a Ki of 0.0097 μM.
[in vitro]

At CA I there is one stand out compound being Dimethylfraxetin (compound 17), a nanomolar CA I inhibitor. This trimethoxy coumarin is the most potent of any of the NP coumarins across the six CA isozymes of the present study .

[target]

Ki: 0.0097 μM (Carbonic anhydrase)

Spectrum DetailBack Directory
[Spectrum Detail]

6,7,8-TRIMETHOXYCOUMARIN(6035-49-0)1HNMR
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