Compound Identification
SMILES
CCCCCCCCSCC1=C(O)C2=C(O[C@@H]([C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H]2SCCO)C2=CC(O)=C(O)C(O)=C2)C(CSCCCCCCCC)=C1O
InChIKey
InChIKey=KGDFPOYMXLZTGZ-VWTIKYIASA-N
Formula
C42H58O12S3
Mass
851.09
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 m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyrans Pyrogallols and derivatives Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Dialkylthioethers Polyols Oxacyclic compounds Sulfenyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin gallate - Epigallocatechin - Hydroxyflavonoid - 3'-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 - Benzopyran - Chromane - Benzoate ester - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Polyol - Oxacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Dialkylthioether - Organosulfur compound - Organic oxygen compound - Organic oxide - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - 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