Compound Identification
SMILES
CC(=O)OC1=CC(OC(C)=O)=C2C[C@@H](OC(=O)C3=CC=C(N)C=C3)[C@H](OC2=C1)C1=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C1
InChIKey
InChIKey=DDHOQDYSDWKESA-LOYHVIPDSA-N
Formula
C32H29NO13
Mass
635.578
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
-
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
Hexacarboxylic acids and derivatives 1-benzopyrans Phenol esters Aminobenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epigallocatechin - Hexacarboxylic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Chromane - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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