Compound Identification
SMILES
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1.CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
InChIKey
InChIKey=OJKSGGGMHMQFQP-SWJURPEQSA-N
Formula
C44H60N4O19S2
Mass
1013.09
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 Catechin gallates
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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
Catechin gallates
Alternative Parents
Epigallocatechins 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Beta amino acids and derivatives 1-benzopyrans Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers N-acyl amines Monosaccharides Dialkyldisulfides Carboxylic acid esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Polyols Organic oxides Carbonyl compounds Organonitrogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Catechin gallate - Epigallocatechin - 3'-hydroxyflavonoid - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Beta amino acid or derivatives - Chromane - 1-benzopyran - Benzopyran - Benzoate ester - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Organic disulfide - Carboxylic acid ester - Carboxamide group - Dialkyldisulfide - Secondary alcohol - Secondary carboxylic acid amide - Ether - Polyol - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.
External Descriptors
Not available