Structure Information
Structure

Compound Identification

SMILES

CC(C)=CCC\C(C)=C\CC1=C(O)C(O)=CC(=C1)[C@H]1OC2=CC(O)=CC(O)=C2C[C@@H]1O

InChIKey

InChIKey=SSQQBMVHIQQAQB-HRNJHOTLSA-N

Formula

C25H30O6

Mass

426.509

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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 - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - 1-benzopyran - Chromane - Monoterpenoid - Aromatic monoterpenoid - Benzopyran - Bicyclic monoterpenoid - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - 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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