Compound Identification
SMILES
CCC1=C(C=C2C(O)=C(OC)C(=O)C(=O)C2=C1)C(=O)OC1=CC(O)=C2CC(O)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=GQEZAECYNQYUDK-UHFFFAOYSA-N
Formula
C29H24O12
Mass
564.499
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 5-hydroxyflavonoids 3'-hydroxyflavonoids Naphthalenecarboxylic acids Naphthoquinones Naphthols and derivatives 1-benzopyrans Phenol esters Pyrogallols and derivatives Aryl ketones Quinones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthoquinone - 1-naphthol - Chromane - Benzopyran - Naphthalene - Phenol ester - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Quinone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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