Apigenin 7-O-Glucuronide

Basic Information

View in Editor

CAS Number

29741-09-1

Molecular Formula

C21H18O11

Molecular Weight

446.36 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

>300 ºC

Boiling Point

841.8℃ at 760 mmHg

Solubility

Methanol,DMSO

SMILES

View in Editor

O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

JBFOLLJCGUCDQP-ZFORQUDYSA-N

LogP

0.14219999999999972

Topological Polar Surface Area

187.11999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

746

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Synonyms & References

English

Apigenin-7-O-glucuronide
b-D-Glucopyranosiduronic acid,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
Apigenin-7-O-glucronide
Apigenin 7-glucuronide
Apigenin 7-O-beta-glucuronide
Apigenin 7-O-glucuronide
APIGENIN-7-GLUCURONIDE
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Apigenin 7-O-β-glucuronide
Apigenin 7-beta-glucuronide
Apigenin-7-O-beta-D glucuronoside
Scutellarin A
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
CID 124511063
2CQ5KB3CH0
Apigenin 7-O-b-glucuronide
apigenin-7-O-beta-D-glucuronide
Apigenin 7-O-beta-D-glucuronide
Apigenin-7-O-beta-D-glucuronoside
Apigenin 7-O-beta-D-glucuronopyranoside
MEGxp0_000795
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Scutellarin A,Apigenin 7-O-β-D-glucuronide,Apigenin 7-O-β-D-glucuronopyranoside,Apigenin 7-glucuroni...

MDL Number

MFCD00067745

FAQ

What are the physical and chemical properties of Apigenin 7-O-Glucuronide (CAS: 29741-09-1)?

Apigenin 7-O-Glucuronide (CAS: 29741-09-1) is a white crystalline powder with a molecular weight of approximately 454.47 g/mol. It has a melting point of 235-237°C and is slightly soluble in water. This compound exhibits limited reactivity under normal conditions, but its solubility and reactivity can be influenced by pH and temperature.

How is Apigenin 7-O-Glucuronide (CAS: 29741-09-1) typically synthesized?

Apigenin 7-O-Glucuronide (CAS: 29741-09-1) is typically synthesized through enzymatic glucuronidation of apigenin using uridine diphosphate-glucuronosyltransferase. Common catalysts include UDP-glucuronosyltransferase isoforms, and the reaction is selective for the 7-OH group of apigenin, yielding a high yield of the glucuronide conjugate.

What industries use Apigenin 7-O-Glucuronide (CAS: 29741-09-1)?

Apigenin 7-O-Glucuronide (CAS: 29741-09-1) is used in the pharmaceutical industry for drug development, particularly in the study of apigenin metabolism and pharmacokinetics. It is also relevant in environmental science for studying the transformation of apigenin in aquatic systems and in sensor technology for detecting apigenin-related metabolites.

What precautions should be taken when handling Apigenin 7-O-Glucuronide (CAS: 29741-09-1)?

When handling Apigenin 7-O-Glucuronide (CAS: 29741-09-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store in a tightly closed container, away from direct sunlight and heat sources. Use a fume hood for all operations and ensure proper ventilation. In case of a spill, clean up with appropriate safety measures and consult the Safety Data Sheet (SDS) for further instructions.