Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCSCC1=C(O)C2=C(O[C@@H]([C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H]2SCCO)C2=CC(O)=C(O)C(O)=C2)C(CSCCCCCCCC)=C1O

InChIKey

InChIKey=KGDFPOYMXLZTGZ-VWTIKYIASA-N

Formula

C42H58O12S3

Mass

851.09

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

Catechin gallates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechin gallate - Epigallocatechin - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzopyran - Chromane - Benzoate ester - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Polyol - Oxacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Dialkylthioether - Organosulfur compound - Organic oxygen compound - Organic oxide - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.

External Descriptors

Not available

Previous Back Next