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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
Theaflavin
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| Category | Influenza Virus |
| CAS | 4670-05-7 |
| Description | Theaflavin is an antioxidant polyphenol which is formed from the condensation of flavan-3-ols in tea leaves during the enzymatic oxidation (fermentation) of black tea. It can inhibit HIV-1 replication with multiple mechanisms of action, and tumor necrosis factor-alpha mediated Interleukin-8 gene expression. It exhibits differential inhibitory effects on cancer cell lines and has the potential to be used individually for functional food applications and for therapy targeting specific cancer treatment. Nutritional supplement in health care products. |
Product Information
| Synonyms | 1,8-Bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5h-benzocyclohepten-5-one; 5H-benzocyclohepten-5-one,1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-3; 6,8,9-trihydroxy-3,11-bis[(2S,3R)-3,5,7-trihydroxychroman-2-yl]bicyclo[5.4.0]undeca-1,3,6,8,10-pentaen-5-one; 3,4,5-Trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-2-chromanyl]-6-benzo[7]annulenone; 3,4,6-Trihydroxy-1,8-bis(3α,5,7-trihydroxy-2α-chromanyl)-5H-benzocyclohepten-5-one |
| IUPAC Name | 3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one |
| Molecular Weight | 564.499 |
| Molecular Formula | C29H24O12 |
| Canonical SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O |
| InChI | InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1 |
| InChIKey | IPMYMEWFZKHGAX-ZKSIBHASSA-N |
| Boiling Point | 926.2±65.0 °C at 760 mmHg |
| Melting Point | 240 °C |
| Flash Point | 314.3±27.8 °C |
| Purity | >98% |
| Density | 1.6±0.1 g/cm3 |
| Solubility | In Vitro: H2O : 2 mg/mL (3.54 mM; Need ultrasonic and warming) DMSO : 1.42 mg/mL (2.52 mM; Need ultrasonic and warming) |
| Appearance | Powder |
| Application | Ingredient of health care products. |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 1060 |
| Exact Mass | 564.12677620 |
| Index Of Refraction | 1.760 |
| 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. |
| PSA | 156.91000 |
| Target | Influenza A (H1N1) virus |
| Vapor Pressure | 0.0±0.3 mmHg at 25°C |
| XLogP3-AA | 2.4 |
