ChemicalBook--->CAS DataBase List--->548-76-5

548-76-5

548-76-5 Structure

548-76-5 Structure
IdentificationBack Directory
[Name]

5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone
[CAS]

548-76-5
[Synonyms]

Rrigenin
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone
5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-
[EINECS(EC#)]

208-958-3
[Molecular Formula]

C18H16O8
[MDL Number]

MFCD00597047
[MOL File]

548-76-5.mol
[Molecular Weight]

360.31
Chemical PropertiesBack Directory
[Melting point ]

189-192℃
[Boiling point ]

646.1±55.0 °C(Predicted)
[density ]

1.461±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Soluble in ethanol and methan
[form ]

powder
[pka]

6.36±0.20(Predicted)
[color ]

White
[Major Application]

food and beverages
[InChI]

InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3
[InChIKey]

TUGWPJJTQNLKCL-UHFFFAOYSA-N
[SMILES]

C1OC2=CC(O)=C(OC)C(O)=C2C(=O)C=1C1=CC(OC)=C(OC)C(O)=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from Belamcanda chinensis.
[Uses]

Irigenin is identified as an α-glucosidase inhibitors. Also, it is a lead compound to overcome Fibronectin EDA induced metastatic progression in lung carcinoma cells.
[Definition]

ChEBI: A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively.
[target]

COX | NOS | NAD(P)H:quinone reductase | α-glucosidase | NO | PGE | p65 | NF-κB
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone(548-76-5)1HNMR
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