Compound Identification
SMILES
CCOC(=O)C1=CC(=CC2=C1C(=O)C(=O)[C@]13O[C@@H]4CC5=C(O)C=C(O)C=C5O[C@@H]4[C@]21[C@@H]1C(=C[C@@]3(O)C(=O)C2=C1C(=CC(O)=C2O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O)[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1O
InChIKey
InChIKey=KBELPPBCUHDRME-RLOGYVRISA-N
Formula
C60H48O24
Mass
1153.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
- Level 6 Catechins
-
Level 5
Flavan-3-ols
-
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
4'-prenylated flavans 3'-prenylated flavans 2'-prenylated flavans 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Lignans, neolignans and related compounds 3-hydroxyflavonoids 3'-hydroxyflavonoids Phenanthrenes and derivatives Naphthofurans Naphthalenecarboxylic acids and derivatives Naphthoquinones 1-benzopyrans Tetralins Aryl alkyl ketones Quinones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3'-prenylated flavan - 4'-prenylated flavan - 2'-prenylated flavan - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Neolignan skeleton - Phenanthrene - Naphthofuran - 1-naphthalenecarboxylic acid or derivatives - Naphthoquinone - 1-benzopyran - Tetralin - Benzopyran - Chromane - Naphthalene - Aryl alkyl ketone - Aryl ketone - Quinone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Tertiary alcohol - Vinylogous acid - Oxolane - Secondary alcohol - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Dialkyl ether - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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