Compound Identification
SMILES
OC(CC1=C(O)C=C(O)C=C1O)C(C1=CC(O)=C(O)C=C1)C1=C(O)C=C2O[C@@H]([C@@H](O)CC2=C1O)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=MIFNNWIZHGVHPR-IRFMAGHWSA-N
Formula
C30H28O12
Mass
580.542
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
Linear diarylheptanoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Cinnamylphenols 1-benzopyrans Phloroglucinols and derivatives Catechols Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols Oxacyclic compounds Polyols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Linear 1,7-diphenylheptane skeleton - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Cinnamylphenol - Linear 1,3-diarylpropanoid - 1-benzopyran - Chromane - Benzopyran - Benzenetriol - Phloroglucinol derivative - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Polyol - Oxacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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