Compound Identification
SMILES
OC1=CC(O)=C2C[C@H](OC(=O)CC3=CC=CC=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=KDZJCTWPFIDOQW-JTHBVZDNSA-N
Formula
C23H20O7
Mass
408.406
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
-
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
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 Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - 1-benzopyran - Chromane - Benzopyran - Catechol - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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
Not available