(+)-Catechin gallate

(+)-Catechin gallate
Compound Structure:
Synonyms: (-)-Epicatechin gallate; Epicatechin gallate; (-)-Epicatechin-3-O-gallate;(-)-epicatechingallate;L-Epicatechin gallate;epicatechin monogallate;(-)-Epicatechin-3-gallate;Teatannin;Epicatechol, gallate
Compound ID: NMPC-015
PubChem ID:

5276454

Molecular Formula: C22H18O10
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChIKey: LSHVYAFMTMFKBA-PZJWPPBQSA-N
About the compound:

Catechin gallate is composed of the catechin moiety (a type of flavonoid) esterified with gallic acid. The "(+)" in its name indicates that it is the positive enantiomer, meaning it rotates plane-polarized light in a clockwise direction. (+)-Catechin Gallate is found in green tea. The Camellia sinensis plant, from which green tea is derived, contains a mix of catechins, and CG is one of them, albeit in lesser amounts than the more abundant EGCG (Epigallocatechin Gallate). Other plant sources might contain minor amounts, but green tea remains the primary dietary source. Like other catechins, CG has been studied for its potential antioxidant, anti-inflammatory, and anti-cancer properties. There's some evidence to suggest catechins can have protective effects on neurons, potentially lowering the risk of neurodegenerative diseases. Green tea, which contains catechin gallate, is consumed worldwide for its potential health benefits and refreshing taste. Due to its potential health benefits, extracts of green tea rich in catechins, including CG, are often used in dietary supplements.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

442.4 g/mol

XLogP3

1.5

Hydrogen Bond Donor Count

7

Hydrogen Bond Acceptor Count

10

Rotatable Bond Count

4

Exact Mass

442.08999677 g/mol

Monoisotopic Mass

442.08999677 g/mol

Topological Polar Surface Area

177²

Heavy Atom Count

32

Formal Charge

0

Complexity

649

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

Source: PubChem

Source Species: Sclerocarya birrea spp caffra
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