Structure Information
Structure

Compound Identification

SMILES

O[C@H]1CC2=C(O)C(O)=C(O)C(O)=C2O[C@@H]1C1=CC=C(O)C(O)=C1

InChIKey

InChIKey=PONGJRZSHJPTOF-LKFCYVNXSA-N

Formula

C15H14O8

Mass

322.269

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

Direct Parent

Catechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 6-hydroxyflavonoid - 7-hydroxyflavonoid - 8-hydroxyflavonoid - Hydroxyflavonoid - 1-benzopyran - Chromane - Benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Ether - Polyol - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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

LIPIDMAPS (LMPK12020151) : Flavans, Flavanols and Leucoanthocyanidins

Previous Back Next