Luteolin 7-diglucuronide

Basic Information

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CAS Number

96400-45-2

Molecular Formula

C27H26O18

Molecular Weight

638.49 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

Solubility

,DMSO,Methanol,Water

SMILES

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C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1

InChIKey

PBBVWJQPAZYQDB-DBFWEQBMSA-N

LogP

-2.2356999999999982

Topological Polar Surface Area

303.57 Å²

Hydrogen Bond Donor/Acceptor

10 / 18

Complexity

1150

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

7-O-[Glucurosyl-(1→2)-glucuronoside]-3',4',5,7-Tetrahydroxyflavone
3′,4′,5,7-Tetrahydroxyflavone 7-diglucuronide
Luteolin 7-O-beta-D-diglucuronide
Luteolin 7-diglucuronide
luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
luteolin-7-O-[beta-glucuronosyl-(1->2)-beta-glucuronide]
C27H26O18
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Q27127061
(2S,3S,4S,5R,6R)-6-(((2S,3R,4S,5S,6S)-6-Carboxy-2-((2-(3,4-dihydroxyphenyl)-5-hydroxy-4
Luteloin-7-O-diglucuronide
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid (ACI)
D
Luteolin 7-diglucuronide,2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucop...
E87152
AKOS040740834
MS-30898
CHEBI:60077
DA-55077
CS-0111085
HY-N7269
(2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-6-carboxy-2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-(((2S,3R,4S,5S,6S)-6-Carboxy-2-((2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
96400-45-2

FAQ

What are the physical and chemical properties of Luteolin 7-diglucuronide (CAS: 96400-45-2)?

Luteolin 7-diglucuronide is a yellow crystalline solid with a molecular weight of approximately 582.2 Da. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. This compound is relatively stable under normal conditions but may react with bases to form less stable derivatives. It is used in various applications due to its chemical stability and specific reactivity.

How is Luteolin 7-diglucuronide (CAS: 96400-45-2) typically synthesized?

Luteolin 7-diglucuronide is usually synthesized through the glucuronidation of luteolin in the presence of glucuronosyltransferase enzymes. The reaction typically involves the use of uridine diphosphate-glucuronic acid (UDPGA) as the donor substrate. The synthetic process is selective and yields high purity products, making it suitable for pharmaceutical and research applications.

What industries use Luteolin 7-diglucuronide (CAS: 96400-45-2)?

Luteolin 7-diglucuronide is utilized in the pharmaceutical industry for its potential anti-inflammatory and antioxidant properties. It is also used in the development of biosensors and other analytical tools due to its chemical reactivity. Additionally, it is explored in the food industry for its potential health benefits and as a natural pigment.

What precautions should be taken when handling Luteolin 7-diglucuronide (CAS: 96400-45-2)?

When handling Luteolin 7-diglucuronide, it is important to wear appropriate personal protective equipment (PPE), including gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.