Compound Identification
SMILES
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC4=CC=CC=C4C=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=UGLYFWCTAQAKLR-ILBGXUMGSA-N
Formula
C26H20O8
Mass
460.438
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
-
Level 6
Catechins
- Level 7 Epigallocatechins
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Level 6
Catechins
-
Level 5
Flavan-3-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols - Catechins
Direct Parent
Epigallocatechins
Alternative Parents
3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Naphthalenecarboxylic acids 1-benzopyrans Pyrogallols and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Carboxylic acid esters Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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