Compound Identification
SMILES
COC1=CC(OC)=C2[C@H](O)[C@H](O)[C@H](OC2=C1)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=NRQHJRJIIFOAEU-GBESFXJTSA-N
Formula
C20H24O8
Mass
392.404
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
-
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'-O-methylated flavonoids Leucoanthocyanidins 5-O-methylated flavonoids 7-O-methylated flavonoids 3-hydroxyflavonoids 4-hydroxyflavonoids 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary alcohols 1,2-diols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Leucoanthocyanidin-skeleton - 3-hydroxyflavonoid - 4-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Ether - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxygen compound - 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