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=C1

InChIKey

InChIKey=LKCOZWLUAKSRQM-MSVHQQNVSA-N

Formula

C24H20O9

Mass

452.415

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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

Direct Parent

Catechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechin - 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 - Catechol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.

External Descriptors

LIPIDMAPS (LMPK12020083) : Flavans, Flavanols and Leucoanthocyanidins

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