Compound Identification
SMILES
COC1=CC(=CC=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O
InChIKey
InChIKey=JRJMBDKZBKOKEW-UHFFFAOYSA-N
Formula
C26H30O13
Mass
550.513
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
-
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
3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Hexoses O-glycosyl compounds 1-benzopyrans Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Ketals Oxanes Tetrahydrofurans Ketones Secondary alcohols Oxacyclic compounds Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3p-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Ketal - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Ether - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Alcohol - Organooxygen compound - 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