CAS 4670-05-7|Theaflavin

Introduction：Basic information about CAS 4670-05-7|Theaflavin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Theaflavin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles25
8. Synonyms

Common Name	Theaflavin
CAS Number	4670-05-7	Molecular Weight	564.49
Density	1.6±0.1 g/cm3	Boiling Point	926.2±65.0 °C at 760 mmHg
Molecular Formula	C₂₉H₂₄O₁₂	Melting Point	240 °C
MSDS	ChineseUSA	Flash Point	314.3±27.8 °C

Names

Name	3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one
Synonym	More Synonyms

Theaflavin BiologicalActivity

Description	Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.
Related Catalog	Signaling Pathways >>Anti-infection >>Influenza VirusNatural Products >>FlavonoidsResearch Areas >>Infection
Target	Influenza A (H1N1) virus[1]
In Vitro	Theaflavin, found in green tea, is observed to inhibit H1N1 NA proteins strongly supported by lowest docking energy. Theaflavin is a plant product traditionally used for treatment of influenza infection. Green tea is particularly rich in polyphenolic compounds like Theaflavin. Theaflavin derivatives have shown pronounced antiviral activity. Theaflavin is found to interact with the amino acid residues like Arg118, Asp151, Asp 152, Arg193, Asp199, Asn344, and Arg430 of NA by forming hydrogen bonds[1].
References	[1]. Sahoo M, et al. Identification of Suitable Natural Inhibitor against Influenza A (H1N1) Neuraminidase Protein by Molecular Docking. Genomics Inform. 2016 Sep;14(3):96-103.

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	926.2±65.0 °C at 760 mmHg
Melting Point	240 °C
Molecular Formula	C₂₉H₂₄O₁₂
Molecular Weight	564.49
Flash Point	314.3±27.8 °C
PSA	156.91000
LogP	1.61
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.760
InChIKey	IPMYMEWFZKHGAX-ZKSIBHASSA-N
SMILES	O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE8382900

CHEMICAL NAME :: 5H-Benzocyclohepten-5-one, 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-3,4 ,6-trihydroxy-

CAS REGISTRY NUMBER :: 4670-05-7

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C29-H24-O12

MOLECULAR WEIGHT :: 564.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 42,75,1981

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Safety Phrases	24/25
RIDADR	NONH for all modes of transport
HS Code	3203001990

Customs

HS Code	3203001990

Articles25

Theaflavins, dimeric catechins, inhibit peptide transport across Caco-2 cell monolayers via down-regulation of AMP-activated protein kinase-mediated peptide transporter PEPT1.

Food Chem. 138(4) , 2140-5, (2013)

In the small intestine, peptide transporter 1 (PEPT1) plays a role in the transport of di- and tripeptides. In this study, we investigated whether theaflavins (TFs) affect the absorption of small pept...

Polyphenols extracted from black tea (Camellia sinensis) residue by hot-compressed water and their inhibitory effect on pancreatic lipase in vitro.

J. Food Sci. 77(12) , H254-61, (2012)

Polyphenols, retained in black tea wastes following the commercial production of tea beverages, represent an underutilized resource. The purpose of this study was to investigate the potential use of h...

Therapeutic attenuation of neuroinflammation and apoptosis by black tea theaflavin in chronic MPTP/probenecid model of Parkinson's disease.

Neurotox. Res. 23(2) , 166-73, (2013)

Neuroinflammation and apoptosis in the dopaminergic neurons of substantia nigra play an important role in the pathogenesis of experimental and clinical Parkinson's disease (PD). This study focused on ...

Synonyms

Theaflavine

Theaflavin

5H-Benzocyclohepten-5-one, 1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-

1,8-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-5-one

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