3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

Basic Information

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CAS Number

40246-10-4

Molecular Formula

C22H22O10

Molecular Weight

446.41 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

2100C

Boiling Point

751.1±60.0°C at 760 mmHg

Solubility

Methanol,Ethanol,DMF,DMSO

SMILES

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COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1

InChIKey

OZBAVEKZGSOMOJ-MIUGBVLSSA-N

LogP

0.3529000000000001

Topological Polar Surface Area

159.05 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

690

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

-20℃

Synonyms & References

English

4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-
Q27149383
40246-10-4
7-(?-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; Glycitein 7-O-glucoside; Glycitein 7-O-?-glucoside; Glycitein-7-?-O-glucoside; Glycitin
DTXSID80193227
CCG-269194
GLYCITIN [USP-RS]
SCHEMBL62443
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-
UNII-G2S44P62XC
CHEBI:80373
BIDD:ER0468
MFCD00800711
Glycitin
A825006
GLYCITEIN-7-.BETA.-O-GLUCOSIDE
Glycitein 7-O-b-glucoside
Glycitein-7-b-O-glucoside
HY-N0012
AKOS015892761
Glycitin, United States Pharmacopeia (USP) Reference Standard
3-(4-hydroxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
4',7-dihydroxy-6-methoxyisoflavone-7-d-glucoside
GLYCITIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
Glycitein 7-O-beta-glucoside
3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
3-(4-hydroxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside
G2S44P62XC
AC-6047

MDL Number

MFCD00800711

FAQ

What is 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4)?

3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4) is a glycoside compound featuring a chromen-4-yl core with hydroxy and methoxy substituents. Its chemical structure includes a beta-D-glucopyranoside sugar moiety linked to a chromone derivative, making it relevant in pharmaceutical and biochemical research. The compound is noted for its potential biological activity and is often studied for applications in drug development.

What are the main uses of 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4)?

This compound is primarily used in pharmaceutical research for its potential anti-inflammatory and antioxidant properties. It may serve as a precursor in the synthesis of bioactive molecules and is also utilized in studies related to enzyme inhibition and drug metabolism. Applications in food and industrial sectors are limited, but its structural complexity makes it valuable for scientific investigations.

Is 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4) safe?

The safety of 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4) depends on handling conditions. While it is generally considered non-toxic in controlled environments, standard safety precautions apply, such as wearing protective gloves and eye wear. Proper ventilation and adherence to OSHA guidelines are recommended. Always consult safety data sheets (SDS) for specific risk assessments.

How should 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4) be stored?

Store 3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside (CAS: 40246-10-4) in a sealed, airtight container in a cool (2-8°C), dry, and dark place to maintain stability. Avoid exposure to moisture and light to prevent degradation. Keep away from incompatible substances and ensure proper labeling for safe handling.