Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C(=O)[C@]13O[C@@H]4CC5=C(O)C=C(O)C=C5O[C@@H]4[C@]21[C@@H]1C(=C[C@@]3(O)C(=O)C2=C1C(=CC(O)=C2O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O

InChIKey

InChIKey=KBELPPBCUHDRME-RLOGYVRISA-N

Formula

C60H48O24

Mass

1153.02

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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 - 3'-prenylated flavan - 4'-prenylated flavan - 2'-prenylated flavan - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Neolignan skeleton - Phenanthrene - Naphthofuran - 1-naphthalenecarboxylic acid or derivatives - Naphthoquinone - 1-benzopyran - Tetralin - Benzopyran - Chromane - Naphthalene - Aryl alkyl ketone - Aryl ketone - Quinone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Tertiary alcohol - Vinylogous acid - Oxolane - Secondary alcohol - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Dialkyl ether - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - 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

Not available

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