(+)-catechin

(+)-catechin
Compound Structure:
Synonyms: (+)-Cianidanol; (+)-Cyanidanol; 2,3-Dihydro-4-desoxoquercetin; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)-; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R,3S)-; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H
Compound ID: NMPC-007
PubChem ID:

9064

Molecular Formula: C15H14O6
Canonical SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChIKey: PFTAWBLQPZVEMU-DZGCQCFKSA-N
About the compound:

Catechins are a type of natural phenol and antioxidant, belonging to the family of flavan-3-ols. The basic structure of catechins encompasses two benzene rings (A and B) linked by a dihydropyran heterocycle (C ring) with two chiral centers, which means there are several stereoisomers of catechin. Catechins are found abundantly in nature, particularly in green tea leaves. They are also present in various fruits, chocolates, wines, and other beverages. Catechins, especially from green tea, have been extensively studied for their potential health benefits. They have demonstrated antioxidant, anti-inflammatory, antiviral, and anticancer properties. Their consumption is linked to reduced risks of certain diseases, including cardiovascular diseases.

Safety and Hazard

GHS Hazard Statements        

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

290.27 g/mol

XLogP3

0.4

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

1

Exact Mass

290.07903816 g/mol

Monoisotopic Mass

290.07903816 g/mol

Topological Polar Surface Area

110Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

364

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: Raphia hookeri
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