Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C(O)=C1[C@]3(O)C4=C([C@@H](C(=CC3=O)[C@H]3OC5=CC(O)=CC(O)=C5C[C@H]3O)[C@@]21[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)C(=CC(O)=C4O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O

InChIKey

InChIKey=FJZBMSQYKHWGPE-YCMXMHHISA-N

Formula

C60H50O24

Mass

1155.036

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