Epigallocatechin

Epigallocatechin
Compound Structure:
Synonyms: (-)-Epigallocatechin; Epigallocatechin; Epigallocatechol; L-Epigallocatechin; 3,3',4',5,5',7-Flavanhexol; (-)-epi-Gallocatechin); Epigallocatechin; (-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
Compound ID: NMPC-011
PubChem ID:

72277

Molecular Formula: C15H14O7
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
InChIKey: XMOCLSLCDHWDHP-IUODEOHRSA-N
About the compound:

Epigallocatechin (EGC) is a type of catechin, which belongs to the larger group of compounds known as flavonoids. Its structure is similar to other catechins, but it's differentiated by the presence of three hydroxyl (OH) groups on the B ring of its flavan-3-ol skeleton. EGC is predominantly found in tea, especially green tea. Green tea is rich in catechins, and EGC is one of the primary catechins present, alongside others like epicatechin, epicatechin gallate (ECG), and epigallocatechin gallate (EGCG). EGC can neutralize harmful free radicals in the body, contributing to reduced oxidative stress. EGC has been researched for its potential effects against certain bacteria and viruses. Some studies suggest that EGC may have protective effects on the cardiovascular system.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

306.27 g/mol

XLogP3

0

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

7

Rotatable Bond Count

1

Exact Mass

306.07395278 g/mol

Monoisotopic Mass

306.07395278 g/mol

Topological Polar Surface Area

131Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

380

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical appearance

Solid

Boiling Point

685.60 °C. @ 760.00 mm Hg (est)

Melting Point

219 - 221 °C

Solubility 

1.545e+004 mg/L @ 25 °C (est)

Source: PubChem

Source Species:
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