Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C2CC(OC(C)=O)C(OC2=C1C1=CC(OC)=C(OC)C2=C1CC(OC(C)=O)C(O2)C1=CC(OC)=C(OC)C=C1)C1=CC(OC)=C(OC)C=C1

InChIKey

InChIKey=UBLSSMATXZFSQO-UHFFFAOYSA-N

Formula

C42H46O14

Mass

774.816

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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 - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Chromane - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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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