Compound Identification
SMILES
CCOC(=O)C1=CC(=CC2=C1C(=O)C(O)=C1[C@]3(O)C4=C([C@@H](C(=CC3=O)[C@H]3OC5=CC(O)=CC(O)=C5C[C@H]3O)[C@@]21[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)C(=CC(O)=C4O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O
InChIKey
InChIKey=FJZBMSQYKHWGPE-YCMXMHHISA-N
Formula
C60H50O24
Mass
1155.036
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
2'-prenylated flavans 3'-prenylated flavans 4'-prenylated flavans 3'-hydroxyflavonoids 3-hydroxyflavonoids Lignans, neolignans and related compounds 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Phenanthrenes and derivatives Naphthalenecarboxylic acids and derivatives Benzotropolones Tetralins 1-benzopyrans Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Tertiary alcohols Carboxylic acid esters Secondary alcohols Enols Oxacyclic compounds Polyols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 2'-prenylated flavan - 4'-prenylated flavan - 3'-prenylated flavan - 7-hydroxyflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Neolignan skeleton - 5-hydroxyflavonoid - Phenanthrene - Benzotropolone - 1-naphthalenecarboxylic acid or derivatives - Chromane - Naphthalene - 1-benzopyran - Benzopyran - Tetralin - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Enol - Carboxylic acid derivative - Ether - Polyol - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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