Compound Identification
SMILES
O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC2=C(OC(O2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NGJOOUAZHCZCOW-WNCULLNHSA-N
Formula
C28H22O6
Mass
454.478
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
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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
7-hydroxyflavonoids 5-hydroxyflavonoids 3-hydroxyflavonoids Diphenylmethanes 1-benzopyrans Benzodioxoles Ketals Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Polyols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3-hydroxyflavonoid - Diphenylmethane - 1-benzopyran - Benzopyran - Chromane - Benzodioxole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Ketal - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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