CAS Number4670-05-7
SynonymsTheaflavine; Theaflavin; 1,8-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-5-one
Molecular FormulaC29H24O12
Molecular Weight564.49
Purity≥95.0 (HPLC)%
Density1.6±0.1 g/cm3
Boiling Point926.2±65.0 °C at 760 mmHg
Melting Point240 °C
AppearanceSolid;Red to Dark red to Brown powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4670-05-7 |
| Catalog No. | 2A-9012671 |
| Chinese Name | 茶黄素 |
| Synonyms | Theaflavine; Theaflavin; 1,8-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-5-one |
| Molecular Formula | C29H24O12 |
| Molecular Weight | 564.49 |
| Purity | ≥95.0 (HPLC) |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 926.2±65.0 °C at 760 mmHg |
| Melting Point | 240 °C |
| Appearance | Solid;Red to Dark red to Brown powder to crystal |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | Theaflavin is a natural influenza A (H1N1) neuraminidase inhibitor. |
| HTC | 3203001990 |
| MDL Number | MFCD03427500 |
| SMILES | O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1C3=Cc4c(cc(O)c(O)c4C(=O)C(O)=C3)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5O |
| 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 |
| InChI Key | IPMYMEWFZKHGAX-ZKSIBHASSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/12671_1_4670_05_7.pdf |
| Use of | Theaflavin is a suitable natural inhibitor against influenza A (H1N1) neuraminidase. Properties Articles25 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 Signaling Pathways >> Anti-infection >> Influenza Virus Natural Products >> Flavonoids Research Areas >> Infection 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 Molecular Formula C29H24O12 PSA 156.91000 Index of Refraction 1.760 InChIKey IPMYMEWFZKHGAX-ZKSIBHASSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 5H-Benzocyclohepten-5-one, 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-3,4 ,6-trihydroxy- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C29-H24-O12 MOLECULAR WEIGHT : 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 : 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 RIDADR NONH for all modes of transport HS Code 3203001990 Synthetic Route Epicatechin CAS#:490-46-0 (-)-Epigallocat... CAS#:970-74-1 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 Epicatechin CAS#:490-46-0 (-)-Epigallocat... CAS#:970-74-1 Theaflavin CAS#:4670-05-7 theanaphthoquinone CAS#:302776-47-2 Literature: Chemical Communications, , # 15 p. 1365 - 1366 (2R,3R)-5,7,5,7... CAS#:1203550-46-2 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 Precursor & DownStream Precursor 3 CAS#:490-46-0 Epicatechin CAS#:970-74-1 (-)-Epigallocat... CAS#:1203550-46-2 (2R,3R)-5,7,5,7... DownStream 0 |
| Transport Info | Product Name: Theaflavin |
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