Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CC2=C(O)C=C3OC(=O)C[C@@H](C4=CC(O)=C(O)C=C4)C3=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=WHASVNKXAVKAJA-GXOFAXAKSA-N

Formula

C24H20O10

Mass

468.414

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavan-3-ols - Catechins

Direct Parent

Epigallocatechins

Alternative Parents

Pyranoflavonoids Linear diarylheptanoids Pyranoneoflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids 3'-hydroxyflavonoids Neoflavans Angular pyranocoumarins Pyranochromenes 3,4-dihydrocoumarins Pyrogallols and derivatives Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Lactones Carboxylic acid esters Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epigallocatechin - Pyranoflavonoid - Linear 1,7-diphenylheptane skeleton - Pyranoneoflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Angular pyranocoumarin - Pyranocoumarin - Pyranochromene - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epigallocatechins. These are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.

External Descriptors

LIPIDMAPS (LMPK12020119) : Flavans, Flavanols and Leucoanthocyanidins

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