General Information of the Compound
| Compound ID |
CP0023959
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| Compound Name |
(-)-Epigallocatechin gallate
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| Synonyms |
EGCG analogs
(-)-Epigallocatechin gallate
(-)-Epigallocatechin-3-o-gallate
(-)-Epigallocatechol gallate
(-)-epigallocatechin 3-gallate
(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl
989-51-5
BQM438CTEL
C22H18O11
CCRIS 3729
Catechin deriv
EGCG
EGCG, Anagen
EPIGALOCATECHIN GALLATE
Epigallocatechin 3-gallate
Epigallocatechin gallate
Epigallocatechin gallate analogs, Anagen
Epigallocatechin gallate, Anagen
Epigallocatechin-3-gallate
Epigallocatechin-3-monogallate
GTPs,Anagen
Green tea extract
Green tea polyphenols, Anagen
PMID26394986-Compound-44
PMID26560530-Compound-26
Tea catechin
Teavigo
UNII-BQM438CTEL
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| Structure |
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| Formula |
C22H18O11
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| Molecular Weight |
458.375
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| Canonical SMILES |
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
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| 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
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| InChIKey |
WMBWREPUVVBILR-WIYYLYMNSA-N
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| CAS |
989-51-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01466, Telomerase reverse transcriptase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000309 | NCTC clone 929 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 = 82300 nM
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Clinical Information about the Compound
Drug 1 ( PMID26394986-Compound-44 )
| Drug Name | PMID26394986-Compound-44 | ||
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| Target(s) | |||
Drug 2 ( PMID26560530-Compound-26 )
| Drug Name | PMID26560530-Compound-26 | ||
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| Company | National Cancer Center (S. Korea) | ||
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Drug 3 ( Epigallocatechin gallate )
| Drug Name | Epigallocatechin gallate | ||
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| Company | Anagen Therapeutics Inc; Enzo Life Sciences | ||
| Indication | |||
| Target(s) | |||