Compound Identification
SMILES
OC1CCC=CC1(O)C(=O)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=HJZDCSVJQHSHLC-SFHMGJLPSA-N
Formula
C22H22O9
Mass
430.409
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
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Level 5
Flavan-3-ols
- Level 6 Catechins
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Level 5
Flavan-3-ols
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Subclass
Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols
Direct Parent
Catechins
Alternative Parents
3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 1-benzopyrans Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Beta hydroxy acids and derivatives Benzene and substituted derivatives Tertiary alcohols 1,2-diols Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - 1-benzopyran - Benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Phenol - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
External Descriptors
LIPIDMAPS (LMPK12020107) : Flavans, Flavanols and Leucoanthocyanidins