Theaflavin

Modify Date: 2024-01-02 16:42:10

Theaflavin Structure
Theaflavin structure
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 Chinese USA Flash Point 314.3±27.8 °C

 Use of Theaflavin


Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.

 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 Biological Activity

Description Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.
Related Catalog
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

 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

 Synthetic Route

~15%

Theaflavin Structure

Theaflavin

CAS#:4670-05-7

Literature: Jhoo, Jin-Woo; Lo, Chih-Yu; Li, Shiming; Sang, Shengmin; Ang, Catharina Y. W.; Heinze, Thomas M.; Ho, Chi-Tang Journal of Agricultural and Food Chemistry, 2005 , vol. 53, # 15 p. 6146 - 6150

~40%

Theaflavin Structure

Theaflavin

CAS#:4670-05-7

Literature: Chemical Communications, , # 15 p. 1365 - 1366

~%

Theaflavin Structure

Theaflavin

CAS#:4670-05-7

Literature: Kawabe, Yusuke; Aihara, Yoshiyuki; Hirose, Yoshitsugu; Sakurada, Asuka; Yoshida, Atsushi; Inai, Makoto; Asakawa, Tomohiro; Hamashima, Yoshitaka; Kan, Toshiyuki Synlett, 2013 , vol. 24, # 4 art. no. ST-2012-U1061-L, p. 479 - 482

~%

Detail
Literature: Journal of Natural Products, , vol. 73, # 1 p. 33 - 39

 Customs

HS Code 3203001990

 Articles25

More Articles
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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