Phyto4Health

Epigalocatechin Gallate

Representations & DB's id

ChEBI: CHEBI:4806
ChEMBL: CHEMBL297453
PubChem: 65064
IUPAC: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Standard InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
Standard InChI Key: WMBWREPUVVBILR-WIYYLYMNSA-N
SMILES: Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O

Molecular propeties

AlogP: 2.23
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 8
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 458.08
Topological polar surface area: 197
Number of aromatic rings: 3
Fsp3: 0.136
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantQuercus robur
PlantThymus vulgaris
PlantCamellia sinensis
PlantCamellia sinensis
PlantCamellia sinensis
PlantCamellia sinensis
PlantCamellia sinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others0.92 nMDihydrofolate reductaseP00374
IC5021500 nMMatrix metalloproteinase 7P09237
IC506800 nMMatrix metalloproteinase 14P50281
IC509600 nMMatrix metalloproteinase-2P08253
Others26.6 %Leukocyte elastaseP08246
Others41.3 %Leukocyte elastaseP08246
Others63.6 %Leukocyte elastaseP08246
Others71.4 %Leukocyte elastaseP08246
Others78.4 %Leukocyte elastaseP08246
IC5012800 nMLeukocyte elastaseP08246
Potency3162.3 nMATP-dependent DNA helicase Q1P46063
Potency8912.5 nMLysine-specific demethylase 4D-likeB2RXH2
Potency316.2 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency12589.3 nMMicrotubule-associated protein tauP10636
Potency3981.1 nMPyruvate kinase isozymes M1/M2P14618
Potency25118.9 nMMicrotubule-associated protein tauP10636
Potency3981.1 nMPyruvate kinase isozymes M1/M2P14618
Potency3981.1 nMLysosomal alpha-glucosidaseP10253
Potency446.7 nMDNA polymerase betaP06746
Potency1778.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency8912.5 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
IC5013440 nMDual-specificity tyrosine-phosphorylation regulated kinase 1AQ13627
Others47.6 %Dual-specificity tyrosine-phosphorylation regulated kinase 1AQ13627
Others-18.24 %Beta-secretase 1P56817
Others-12.61 %Beta-secretase 1P56817
Others-11.78 %Beta-secretase 1P56817
Others-0.72 %Beta-secretase 1P56817
Others5.78 %Beta-secretase 1P56817
IC50757 nMBeta-secretase 1P56817
Others38 %Beta-secretase 1P56817
Others42 %DNA (cytosine-5)-methyltransferase 1P26358
Others18 %Receptor protein-tyrosine kinase erbB-2P04626
Potency12589.3 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency27306 nMNuclear factor erythroid 2-related factor 2Q16236
Others10.56 Telomerase reverse transcriptaseO14746
Others8.16 Telomerase reverse transcriptaseO14746
IC501000 nMTelomerase reverse transcriptaseO14746
IC501080 nMTelomerase reverse transcriptaseO14746
IC501180 nMTelomerase reverse transcriptaseO14746
Ki335 nMApoptosis regulator Bcl-2P10415
Others85.2 %Serum albuminP02768
Others68.7 %Serum albuminP02768
Others85 %Serum albuminP02768
Others99 %Serum albuminP02768
IC50100000 nMBeta amyloid A4 proteinP05067
IC501800 nMMicrotubule-associated protein tauP10636
Others88.17 %Leukocyte elastaseP08246
IC5020000 nMPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Q13526
IC50330 nMDual-specificity tyrosine-phosphorylation regulated kinase 1AQ13627
Others47 %40S ribosomal protein SAP08865
Kd700 nMSignal transducer and activator of transcription 1-alpha/betaP42224
IC50155000 nMHeat shock protein HSP 90-betaP08238
IC501000 nMTelomerase reverse transcriptaseO14746
Others85 %Intercellular adhesion molecule-1P05362
Others16 %Beta amyloid A4 proteinP05067
IC504600 nMBeta amyloid A4 proteinP05067
IC503000 nMBeta amyloid A4 proteinP05067
IC50500 nMDNA (cytosine-5)-methyltransferase 1P26358
Others95.1 %Beta amyloid A4 proteinP05067
IC50500 nMBeta amyloid A4 proteinP05067
IC50124.1 nMP-glycoprotein 1P08183
IC50122.6 nMP-glycoprotein 1P08183
Others1.2 P-glycoprotein 1P08183
Others1.2 P-glycoprotein 1P08183
IC501400000 nMSalivary alpha-amylaseP04745
IC5030000 nMHistone acetyltransferase p300Q09472
IC5050000 nMCREB-binding proteinQ92793
IC5060000 nMHistone acetyltransferase PCAFQ92831
IC5070000 nMHistone acetyltransferase KAT5Q92993