Compound Identification
SMILES
OC1Cc2c(OC1c1ccc(O)c(O)c1)c1C(C(O)C(Oc1c1C(C(O)C(Oc21)c1ccc(O)c(O)c1)c1ccc(O)cc1O)c1ccc(O)c(O)c1)c1ccc(O)cc1O
InChIKey
InChIKey=UIKHFIDWMMHDLH-UHFFFAOYSA-N
Formula
C45H38O16
Mass
834.783
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
Pyranoflavonoids Linear diarylheptanoids Pyranoneoflavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids Neoflavans Pyranochromenes Catechols Resorcinols 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 - Pyranoflavonoid - Linear 1,7-diphenylheptane skeleton - Pyranoneoflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Pyranochromene - Chromane - Benzopyran - 1-benzopyran - Resorcinol - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen 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