Compound Identification
SMILES
OC1=CC(O)=C2CC(OC(=O)C3=C(O)C(O)=C(O)C=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=ZJONSYFOVDKINV-UHFFFAOYSA-N
Formula
C22H18O11
Mass
458.375
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
3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids p-Hydroxybenzoic acid alkyl esters o-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters 1-benzopyrans Salicylic acid and derivatives 5-unsubstituted pyrrogallols Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - 5-unsubstituted pyrrogallol - Benzoic acid or derivatives - Pyrogallol derivative - Benzenetriol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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