4670-05-7

4670-05-7 structure

Name: Theaflavin
Chemical 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
CAS Number: 4670-05-7
Molecular Formula: C₂₉H₂₄O₁₂
Molecular Weight: 564.49
Catalog: Biochemical Chinese herbal medicine ingredients
Create Date: 2018-10-04 17:34:27
Modify Date: 2024-01-02 16:42:10
Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.

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
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

Description	Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase.
Related Catalog	Signaling Pathways >> Anti-infection >> Influenza Virus Natural Products >> Flavonoids Research 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.

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

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

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

490-46-0

970-74-1

~15%

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

490-46-0

970-74-1

~40%

4670-05-7

302776-47-2

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

1203550-46-2

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

490-46-0

970-74-1

1204351-27-8

1204351-30-3

Detail

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

Precursor 3
490-46-0 970-74-1 1203550-46-2
DownStream 0

HS Code	3203001990

4670-05-7	28543-07-9
31629-79-5	30462-35-2
30462-34-1	1203550-46-2