5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

Basic Information

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CAS Number

529-59-9

Molecular Formula

C21H20O10

Molecular Weight

432.38 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

256°C

Boiling Point

788.9±60.0°C at 760 mmHg

Density

1.6420

Flash Point

280.7 °C

Solubility

DMSO: 10 mg/mL

Refractive Index

1.717

Specific Rotation

-28.7 ° Conc: 1 g/100mL; Solv: dimethyl sulfoxide (67-68-5); Wavlen: 589.3 nm

SMILES

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O=C1C(C2=CC=C(O)C=C2)=COC3=C1C(O)=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C3

InChI

InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1

InChIKey

ZCOLJUOHXJRHDI-CMWLGVBASA-N

LogP

0.04989999999999967

Topological Polar Surface Area

170.04999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

675

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

Genistin
7-(beta-d-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4h-1-benzopyran-4-on
genistein,7-beta-d-glucopyranoside
genistein,7-o-beta-d-glucoside
4',5,7-TRIHYDROXYISOFLAVONE 7-GLUCOSIDE
7-O-B-D-GLUCOPRYANOSYL GENISTEIN
7-O-BETA-D-GLUCOPYRANOSIDE
GENISTEIN-7-GLUCOSIDE
4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-
Genistein
GENISTIN(P) (AHP Verified) PrintBack
GENISTIN(RG)
4',5,7-trihydroxyisoflavone-7-D-glucoside
Genistein 7-glucoside
genistein 7-O-glucoside
Genistein 7-O-β-D-glucopyranoside
Genistein-7-O-β-D-glucopyranoside
genistine
Genistoside
GLUCOSYL-7-GENISTEIN
Soybean Extract
4′,5,7-Trihydroxyisoflavone 7-glucoside
NSC 5112
Genistein-7-O-beta-D-glucopyranoside
68# industrial white oil
Genisteol 7-monoglucoside
Genistein glucoside
Genistein 7-O-beta-D-glucoside
Genistein, 7-O-beta-D-glucoside
Genistein, 7-beta-D-glucopyranoside
1POG3SCN5T

MDL Number

MFCD00016883

FAQ

What is 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9)?

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9) is a natural compound with a complex structure combining a chromen-4-yl ring and a glucose moiety. It is a glycoside characterized by hydroxyl and oxo groups on the chromen ring, and its molecular formula is C21H20O11. This compound is known for its potential biological activities and is studied in pharmaceutical research for its antioxidant properties.

What are the main uses of 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9)?

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9) is primarily used in pharmaceutical research as a potential antioxidant and anti-inflammatory agent. It may also serve as a lead compound for drug development targeting oxidative stress-related diseases. Additionally, it is studied in biochemical research for its role in metabolic pathways and its interaction with enzyme systems.

Is 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9) safe?

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9) is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions, including wearing protective gloves, goggles, and lab coats. Limited toxicity data suggests low acute hazard, but safety data sheets (SDS) should be consulted for detailed handling guidelines and exposure limits.

How should 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9) be stored?

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 529-59-9) should be stored in a sealed, airtight container at room temperature (below 25°C) and low humidity (below 60%). It is light-sensitive, so storage in a dark, cool place is recommended. Avoid exposure to moisture and heat to maintain stability and prevent degradation.