41653-81-0

Basic information

• Product Name: 3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one
• Synonyms: 3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one;4',5-Dihydroxy-6,7-(epoxymethanoxy)isoflavone;9-Hydroxy-7-(4-hydroxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one;Irilone【isoflavone】
• CAS NO: 41653-81-0
• Molecular Formula: C₁₆H₁₀O₆
• Molecular Weight: 298.25
• Mol File: 41653-81-0.mol

Chemical Properties

• Melting Point: 236-237℃
• Boiling Point: 558.7°C at 760 mmHg
• Flash Point: 215.9°C
• Appearance: /
• Density: 1.592
• Vapor Pressure: 4.34E-13mmHg at 25°C
• Refractive Index: 1.721
• CAS DataBase Reference: 3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one(41653-81-0)
• EPA Substance Registry System: 3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one(41653-81-0)

Safety Data

• Hazardous Substances Data: 41653-81-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one is used as a pharmaceutical agent for its potential therapeutic effects. The hydroxy groups and methylenedioxy bridge in its structure may contribute to its bioactivity, making it a candidate for the development of new drugs with various health benefits.
Used in Nutraceutical Industry:
In the nutraceutical industry, 3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one may be utilized as a dietary supplement or functional food ingredient due to its potential health-promoting properties. Its presence of hydroxy groups could play a role in enhancing its bioavailability and efficacy as a nutraceutical compound.
Used in Cosmetic Industry:
3-(4-Hydroxyphenyl)-5-hydroxy-6,7-(methylenebisoxy)-4H-1-benzopyran-4-one can be employed in the cosmetic industry as an active ingredient for skincare products. Its chemical structure, including the hydroxy and methylenedioxy groups, may provide benefits such as antioxidant or anti-inflammatory properties, contributing to improved skin health and appearance.

InChI:InChI=1/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2

Synthetic route

Irilone (41653-81-0) + uridine diphosphoglucuronic acid (2616-64-0, 7305-43-3, 50722-58-2) → C22H18O12

Conditions	Yield
With human recombinant UDP glucuronosyltransferase 1A9; magnesium chloride In dimethyl sulfoxide at 37℃; for 1.5h; pH=7.4; Kinetics; aq. phosphate buffer;

Irilone (41653-81-0) + uridine diphosphoglucuronic acid (2616-64-0, 7305-43-3, 50722-58-2) → C22H18O12 + C22H18O12

Conditions	Yield
With human recombinant UDP glucuronosyltransferase 1A1; magnesium chloride In dimethyl sulfoxide at 37℃; for 1.5h; pH=7.4; Kinetics; Reagent/catalyst; aq. phosphate buffer;

Irilone (41653-81-0) + uridine diphosphoglucuronic acid (2616-64-0, 7305-43-3, 50722-58-2) → C22H18O12

Conditions	Yield
With human recombinant UDP glucuronosyltransferase 1A10; magnesium chloride In dimethyl sulfoxide at 37℃; for 1.5h; pH=7.4; Kinetics; Reagent/catalyst; aq. phosphate buffer;