Compound Identification
SMILES
CC1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=BODLEJRYMFFAKU-IFMALSPDSA-N
Formula
C23H20O10
Mass
456.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
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Level 6
Catechins
- Level 7 Epigallocatechins
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Level 6
Catechins
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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 7-hydroxyflavonoids 5-hydroxyflavonoids m-Hydroxybenzoic acid esters 1-benzopyrans Pyrogallols and derivatives Resorcinols Ortho cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 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 - M-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Resorcinol - O-cresol - Benzoyl - Toluene - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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