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(-) -Epigallocatechin Gallate

CAT: 1596-AR-C01604-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01604-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
989-51-5
Synonyms
(2R,3R) -5,7-dihydroxy-2- (3,4,5-trihydroxyphenyl) chroman-3-yl 3,4,5-trihydroxybenzoate; Teavigo; epi-Gallocatechin 3-O-Gallate; epi-Gallocatechin Gallate; EGCG; Epigallocatechin-3-monogallate; L-Epigallocatechin Gallate; 3-O-Galloyl- (-) -epigallocatechin
Molecular Formula
C22H18O11
Molecular Weight
458.38
API Name
Catechin

Chemical Information

Epigallocatechin Gallate

(-)-epigallocatechin 3-gallate is a gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of ()-epigallocatechin. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a neuroprotective agent, a Hsp90 inhibitor, an apoptosis inducer and a plant metabolite. It is a polyphenol, a gallate ester and a member of flavans. It is functionally related to a (-)-epigallocatechin.

CAS Number989-51-5
PubChem CID65064
IUPAC Name[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC22H18O11
Molecular Weight458.4
XLogP1.2
Topological Polar Surface Area197
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity667
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
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
InChIKey
WMBWREPUVVBILR-WIYYLYMNSA-N
Chemical Structure
2D Structure
2D structure of Epigallocatechin Gallate
CAS: 989-51-5
CID: 65064
Formula: C22H18O11
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.4
XLogP31.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass458.08491139
Monoisotopic Mass458.08491139
Topological Polar Surface Area197 Ų
Heavy Atom Count33
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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