Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1=CC(OC(C)=O)=C2C[C@@H](OC(=O)C3=CC=C(N)C=C3)[C@H](OC2=C1)C1=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C1

InChIKey

InChIKey=DDHOQDYSDWKESA-LOYHVIPDSA-N

Formula

C32H29NO13

Mass

635.578

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavan-3-ols - Catechins

Direct Parent

Epigallocatechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epigallocatechin - Hexacarboxylic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Chromane - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epigallocatechins. These are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.

External Descriptors

Not available

Previous Back Next