Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O
InChIKey
InChIKey=DHJQGIFMZKHMDS-UHFFFAOYSA-N
Formula
C27H32O14
Mass
580.539
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'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Hexoses O-glycosyl compounds 1-benzopyrans Dimethoxybenzenes Methoxyphenols Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Ketals Oxanes Tetrahydrofurans Ketones Secondary alcohols Oxacyclic compounds Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - 3p-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Ketal - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Tetrahydrofuran - Secondary alcohol - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carbonyl group - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - 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