Compound Identification
SMILES
COC1=CC(OC)=C2[C@@H]3[C@H](OC2=C1)[C@H](OC1=CC(OC)=CC(OC)=C31)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=JPBQOERAHZSYPA-GTNKKZTPSA-N
Formula
C28H30O9
Mass
510.539
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
Furanoflavonoids and dihydrofuranoflavonoids 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-O-methylated flavonoids 1-benzopyrans Furopyrans Coumarans Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrans Furans Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - Furanoflavonoid or dihydroflavonoid - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Chromane - Benzopyran - 1-benzopyran - Coumaran - Furopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Pyran - Benzenoid - Monocyclic benzene moiety - Furan - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - 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