5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one

Basic Information

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CAS Number

479-91-4

Molecular Formula

C19H18O8

Molecular Weight

374.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

186-187°C

Boiling Point

617.7 °C at 760 mmHg

Density

1.4400

Flash Point

617.7 °C at 760 mmHg

Solubility

ethanol: soluble1mg/mL, clear, colorless to light yellow

Refractive Index

1.639

SMILES

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COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O

InChI

InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3

InChIKey

PJQLSMYMOKWUJG-UHFFFAOYSA-N

LogP

2.9056000000000006

Topological Polar Surface Area

107.59000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

576

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

HY-N0516
FT-0688327
479-91-4
SCHEMBL382354
5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one
Casticin(Vitexicarpin)
5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone
CASTICIN (USP-RS)
Q15228129
CS-0009055
Casticine
3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone
Vitexicarpin
DTXCID90119817
NCGC00482751-01
753GT729OU
Q-100515
3,6,7,4'-tetramethylquercetagetin
4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-
3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone
MFCD00210481
s9288
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-benzopyran-4-one, 9CI
LS-14708
Casticin, analytical standard
5,3'-dihydroxy-3,6,7,4'-tetramethoxyflavone
Casticin, United States Pharmacopeia (USP) Reference Standard
Casticin, primary pharmaceutical reference standard
Casticin
CHEBI:69355
LMPK12113010

MDL Number

MFCD00210481

FAQ

What is 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one (CAS: 479-91-4)?

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one (CAS: 479-91-4) is a complex organic compound belonging to the chromenone family. It contains multiple hydroxy and methoxy functional groups, contributing to its polar nature and potential biological activity. The molecule features a benzene ring fused to a pyran ring with a ketone group at position 4, making it a key intermediate in pharmaceutical and research applications. Its chemical formula is C17H18O8.

What are the main uses of 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one (CAS: 479-91-4)?

This compound is primarily used in pharmaceutical research as a potential antioxidant and anti-inflammatory agent. It serves as a building block for synthesizing bioactive molecules and is also explored in the development of natural preservatives for food and cosmetics. Its unique structure makes it valuable in industrial applications, including dye production and organic chemistry studies involving chromenone derivatives.

Is 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one (CAS: 479-91-4) safe?

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one (CAS: 479-91-4) is generally considered safe when handled properly. However, it should be treated with caution, as direct skin contact or inhalation may pose risks. Safety standards recommend using appropriate PPE, such as gloves and goggles, and following standard laboratory protocols. It is not classified as highly toxic but should be kept out of reach of children and not ingested.

How should 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one (CAS: 479-91-4) be stored?

To ensure stability and safety, this compound should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container to prevent degradation. Storage conditions should maintain temperatures below 25°C and humidity levels under 60%. Avoid exposure to incompatible substances and refrigerate if necessary to preserve its chemical integrity.