5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside

Basic Information

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CAS Number

5041-82-7

Molecular Formula

C22H22O12

Molecular Weight

478.41 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

Yellow powder

Melting Point

155-160°C

Boiling Point

834.4°C at 760 mmHg

Solubility

,Methanol,DMSO

SMILES

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COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O

InChI

InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1

InChIKey

CQLRUIIRRZYHHS-LFXZADKFSA-N

LogP

-0.23590000000000072

Topological Polar Surface Area

199.51 Å²

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

773

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

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

Storage Conditions

2-8℃

Synonyms & References

English

SR-05000002275-2
DTXSID601311218
4H-1-Benzopyran-4-one, 3-(.beta.-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside
isorhamnetin 3-O-beta-D-glucopyranoside
Isorhamnetin-3-Oglucoside
HY-N0777
Isorhamnetin-3-O-beta-D-glucopyranoside
4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
1085711-35-8
ISORHAMNETIN 3-O-.BETA.-D-GLUCOPYRANOSIDE
A918376
AC-34958
Isorhamnetin 3-glucoside
isorhamnetin-3-Glu
NCGC00163573-01
Isorhamnetin 3-beta-D-glucoside
CCG-208394
CQLRUIIRRZYHHS-LFXZADKFSA-N
AKOS032948993
A-D-Glucoside
3,4',5,7-TETRAHYDROXY-3'-METHOXYFLAVONE 3-.BETA.-D-GLUCOPYRANOSIDE
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
isorhamnetin-3-O-glucoside
CHEMBL234316
UNII-BI252A6EPL
AS-82867
SCHEMBL2025447
isorhamnetin 3-O-glucoside
Isorhamnetin-3-O-b-D-Glucoside

MDL Number

MFCD00017689

FAQ

What is 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside (CAS: 5041-82-7)?

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside is a glycoside compound. It features a chromone ring with specific hydroxy and methoxy substituents, attached to a glucose molecule. This compound exhibits antioxidant and anti-inflammatory properties.

What are the main uses of 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside (CAS: 5041-82-7)?

It is used in pharmaceutical applications for its antioxidant and anti-inflammatory properties. It can also be used in natural product chemistry research and as a potential ingredient in dietary supplements.

Is 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside (CAS: 5041-82-7) safe?

Generally safe for use, but it is recommended to handle this compound with gloves and in a well-ventilated area. It is non-toxic, but avoid contact with eyes and skin. Follow standard safety protocols and consult material safety data sheets (MSDS) for detailed information.

How should 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside (CAS: 5041-82-7) be stored?

Store this compound in a cool, dry place away from direct sunlight. Keep in a tightly sealed container to prevent degradation. Refrigeration is not necessary, but maintaining a stable environment is important for long-term storage stability.