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  1. General Info
  2. Source Info
  3. Effects Info
  4. Reference
Phytochemical Details
01. General Information
Name Theaflavin 3,3'-digallate
PubChem CID 21146795
Molecular Weight 868.7g/mol
Synonyms

theaflavin-3,3'-digallate

Formula C₄₃H₃₂O₂₀
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)OC(=O)C7=CC(=C(C(=C7)O)O)O)C(=O)C(=C3)OC(=O)C8=CC(=C(C(=C8)O)O)O)O
InChI 1S/C43H32O20/c44-17-7-23(46)21-12-29(52)39(60-32(21)9-17)14-1-19-20(40-30(53)13-22-24(47)8-18(45)10-33(22)61-40)11-31(54)41(63-43(59)16-4-27(50)37(56)28(51)5-16)35(19)38(57)34(6-14)62-42(58)15-2-25(48)36(55)26(49)3-15/h1-11,29-30,39-40,44-56H,12-13H2/t29-,30-,39-,40-/m1/s1
InChIKey FJYGFTHLNNSVPY-BBXLVSEPSA-N
Structure 2D-img
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2D MOL 3D MOL
02. Source Information of Phytochemical
Camellia sinensis Cool
Chineses Pinyin Cha
Use Part Tender leaf or tender bud
Habitat JiangSu, AnHui, ZheJiang, JiangXi, HuBei, SiChuan, GuiZhou, YunNan, Shaanxi
Flavor Sweet; Bitter
Meridian Tropism Lung; Stomach; Heart
Species
>Kingdom: Viridiplantae
 -->Phylum: Streptophyta
  -->Class: Equisetopsida
   -->Order: Ericales
    -->Family: Theaceae
     -->Genus: Camellia
      -->Species: Camellia sinensis
03. Combinatorial Therapeutic Effect(s)
Synergistic Effect
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Drug(s) whose efficacy can be enhanced by this phytochemical
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Combination Pair ID: 452
Pair Name Theaflavin 3,3'-digallate, Trastuzumab
Partner Name Trastuzumab
Disease Info [ICD-11: 2B72] Gastric cancer Investigative
Biological Phenomena Induction-->Mitosis
Gene Regulation Down-regulation Phosphorylation MISP hsa126353
Down-regulation Expression PLK1 hsa5347
Down-regulation Expression SHCBP1 hsa79801
In Vitro Model NCI-N87 Gastric tubular adenocarcinoma Homo sapiens (Human) CVCL_1603
HGC-27 Gastric carcinoma Homo sapiens (Human) CVCL_1279
MKN45 Gastric adenocarcinoma Homo sapiens (Human) CVCL_0434
AGS Gastric adenocarcinoma Homo sapiens (Human) CVCL_0139
KATO II Down syndrome Homo sapiens (Human) CVCL_M882
Hs 746.T Gastric adenocarcinoma Homo sapiens (Human) CVCL_0333
HEK293T Healthy Homo sapiens (Human) CVCL_0063
SNU-216 Gastric tubular adenocarcinoma Homo sapiens (Human) CVCL_3946
Result These findings suggest an aberrant mitotic HER2-SHCBP1-PLK1 axis underlies trastuzumab sensitivity and offer a new strategy to combat gastric cancer.
Combination Pair ID: 867
Pair Name Theaflavin 3,3'-digallate, Cisplatin
Partner Name Cisplatin
Disease Info [ICD-11: 2C73] Ovarian cancer Investigative
Biological Phenomena Induction-->Blockade of cell cycle in G1/S phase
Gene Regulation Up-regulation Expression BAX hsa581
Down-regulation Expression BCL2 hsa596
Up-regulation Cleavage CASP3 hsa836
Up-regulation Cleavage CASP7 hsa840
In Vitro Model A2780/CP70 Ovarian endometrioid adenocarcinoma Homo sapiens (Human) CVCL_0135
OVCAR-3 High grade ovarian serous adenocarcinoma Homo sapiens (Human) CVCL_0465
Result TF3 may be used as an adjuvant for the treatment of advanced ovarian cancer.
04. Reference
No. Title Href
1 Hyperactivation of HER2-SHCBP1-PLK1 axis promotes tumor cell mitosis and impairs trastuzumab sensitivity to gastric cancer. Nat Commun. 2021 May 14;12(1):2812. doi: 10.1038/s41467-021-23053-8. Click
2 Synergistic effect of black tea polyphenol, theaflavin-3,3'-digallate with cisplatin against cisplatin resistant human ovarian cancer cells. J Funct Foods. 2018 Jul;46:1-11. doi: 10.1016/j.jff.2018.04.037. Click
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