94805-82-0

Basic information

• Product Name: 3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
• Synonyms: 3-(2,4-Dihydroxyphenyl)-5-methoxy-6-(3-methyl-2-butenyl)-7-hydroxy-2H-1-benzopyran-2-one;3-(2,4-Dihydroxyphenyl)-6-(3-methyl-2-butenyl)-5-methoxy-7-hydroxy-2H-1-benzopyran-2-one;3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one;Glycycoumarin;3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
• CAS NO: 94805-82-0
• Molecular Formula: C₂₁H₂₀O₆
• Molecular Weight: 368.38
• Mol File: 94805-82-0.mol
• Article Data: 0

Chemical Properties

• Melting Point: 243.5-244.5℃
• Boiling Point: 646.9°C at 760 mmHg
• Flash Point: 232°C
• Appearance: /
• Density: 1.342g/cm³
• Vapor Pressure: 2.48E-17mmHg at 25°C
• Refractive Index: 1.648
• PKA: 7.86±0.20(Predicted)
• CAS DataBase Reference: 3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one(94805-82-0)
• EPA Substance Registry System: 3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one(94805-82-0)

Safety Data

• Hazardous Substances Data: 94805-82-0(Hazardous Substances Data)

Usage

Description

3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, a member of the coumarin class, is a compound characterized by the presence of a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6, and a 2,4-dihydroxyphenyl group at position 3. It is isolated from Glycyrrhiza uralensis and has been found to exhibit antispasmodic activity.

Uses

Used in Pharmaceutical Industry:
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one is used as an antispasmodic agent for its ability to relieve muscle spasms and reduce smooth muscle contractions. This makes it a potential candidate for the treatment of various conditions involving involuntary muscle contractions, such as asthma, irritable bowel syndrome, and other gastrointestinal disorders.
Used in Natural Medicine:
As a compound isolated from Glycyrrhiza uralensis, 3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one can be utilized in the development of natural medicine and herbal remedies. Its antispasmodic properties can be harnessed to create formulations that address muscle-related issues and promote overall well-being.
Used in Research and Development:
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one's unique structure and biological activity make it a valuable subject for research and development in the fields of chemistry, pharmacology, and medicine. Further studies on its mechanism of action, potential side effects, and possible applications in drug discovery can lead to the development of new therapeutic agents and treatments for various conditions.

InChI:InChI=1/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3

Downstream Products

• 66056-33-5 Glycycoumarin trimethylether 
• 117038-82-1 Isoglycycoumarin