3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one

Basic Information

View in Editor

CAS Number

116709-70-7

Molecular Formula

C20H18O6

Molecular Weight

354.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

SMILES

View in Editor

CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O)C

InChI

InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3

InChIKey

JOQWUUJQWPZLAT-UHFFFAOYSA-N

LogP

3.7911000000000037

Topological Polar Surface Area

111.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

593

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

B0005-477586
JN0
MS-25515
CHEMBL491515
5/'-(3-Methyl-2-butenyl)-3/',4/',5,7-tetrahydroxyisoflavone
AKOS032962719
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one
116709-70-7
3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
HY-N3962
BDBM50325940
CS-0024526
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
FT-0775342
Glycyrrhisoflavone
SCHEMBL12866237
4H-1-Benzopyran-4-one,3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-
3-(3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)-5,7-dihydroxy-4H-chromen-4-one
4H-1-Benzopyran-4-one,3-[3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy- (9CI)
3-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
[ "" ]
3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-
5'-(3-Methyl-2-butenyl)-3',4',5,7-tetrahydroxyisoflavone

MDL Number

MFCD28100643

FAQ

What regulatory guidelines apply to 3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one (CAS: 116709-70-7)?

This compound requires adherence to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous substance identification. In terms of European regulations, it falls under REACH, which requires registration, evaluation, and authorization. For the United States, FDA and EPA regulations may apply for its use in pharmaceuticals or environmental releases, respectively. Specific handling and disposal procedures must comply with local and national laws.

Are there alternatives to 3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one (CAS: 116709-70-7) in synthesis?

There are several alternatives that can be used as starting materials or intermediates in the synthesis of similar compounds. Commonly, analogs such as 3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl derivatives or isomers of 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one can be utilized. Additionally, different reagents like acetylacetone or other chromone derivatives can serve as alternatives.

What is the market or research trend for 3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one (CAS: 116709-70-7)?

The market trend for this compound reflects increasing interest in chromones due to their potential in drug discovery and natural product chemistry. Research is focusing on understanding its biological activities, particularly in terms of antioxidant and anti-inflammatory properties. The compound is also being explored for pharmaceutical applications, which could drive its market growth.

How should waste containing 3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one (CAS: 116709-70-7) be handled?

Waste containing this compound should be collected in proper containers and stored in a secure, well-ventilated area. For disposal, professional waste treatment facilities should be used to ensure compliance with environmental regulations. Incineration may be a suitable method, but it must be conducted under controlled conditions to prevent the release of harmful byproducts. Always follow local and national waste disposal guidelines to ensure safety and environmental protection.