Compound Identification
SMILES
OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2(O)CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC12O)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=QHZODGIKEZPDAQ-UHFFFAOYSA-N
Formula
C37H32O19
Mass
780.644
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
-
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
4-prenylated flavans 5-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids 3'-hydroxyflavonoids Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters C-glycosyl compounds 1-benzopyrans Pyrogallols and derivatives Catechols Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Tertiary alcohols Hemiacetals Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Enols Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - 4-prenylated flavan - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - C-glycosyl compound - Glycosyl compound - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Catechol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Oxane - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Hemiacetal - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Ether - Organoheterocyclic compound - Enol - Carboxylic acid derivative - Oxacycle - Organic oxide - Hydrocarbon derivative - Alcohol - Organooxygen compound - 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