ChemicalBook--->CAS DataBase List--->4712-12-3

4712-12-3

4712-12-3 Structure

4712-12-3 Structure
IdentificationBack Directory
[Name]

4'-METHYLCHRYSOERIOL
[CAS]

4712-12-3
[Synonyms]

4'-METHYLCHRYSOERIOL
CHRYSOERIOL 4'-O-METHYL ETHER
Luteolin 3',4'-dimethyl ether
Luteolin-3',4'-dimethyl ether
Rutoside Trihydrate Impurity 13
5,7-DIHYDROXY-3',4'-DIMETHOXYFLAVONE
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-
[Molecular Formula]

C17H14O6
[MDL Number]

MFCD00017422
[MOL File]

4712-12-3.mol
[Molecular Weight]

314.29
Chemical PropertiesBack Directory
[Melting point ]

244 °C (decomp)(Solv: methanol (67-56-1))
[Boiling point ]

538.3±50.0 °C(Predicted)
[density ]

1.402±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 20.83 mg/mL (66.28 mM);Water : < 0.1 mg/mL (insoluble)
[form ]

Solid
[pka]

6.49±0.40(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3
[InChIKey]

AOLOMULCAJQEIG-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(OC)C(OC)=C2)OC2=CC(O)=CC(O)=C2C(=O)C=1
[LogP]

2.970 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

5,7-Dihydroxy-3‘,4’-dimethoxyflavone, also known as 4'-Methylchrysoeriol , is a bioactive Flavonoids found in plants such as Eupatorium odoratum. Studies have shown that 4'-Methylchrysoeriol has death receptor 5 promoter-enhancing activity.
[Uses]

4'-Methylchrysoeriol is a potent inhibitor of Cytochrome P450 enzymes, with an IC50 of 19 nM for human P450 1B1-dependent EROD.
[Biological Activity]

4'-Methylchrysoeriol is a potent inhibitor of Cytochrome P450 enzymes, with an IC50 of 19 nM for human P450 1B1-dependent EROD.
[storage]

Store at -20°C
[References]

[1] Shimada T, et al. Reverse type I binding spectra of human cytochrome P450 1B1 induced by flavonoid, stilbene, pyrene, naphthalene, phenanthrene, and biphenyl derivatives that inhibit catalytic activity: a structure-function relationship study. Chem Res To DOI:10.1021/tx900127s
Spectrum DetailBack Directory
[Spectrum Detail]

4'-METHYLCHRYSOERIOL(4712-12-3)1HNMR
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