Compound Identification
SMILES
CC1=CC(=CC(C)=C1O)[C@H]1OC2=CC(O)=CC(O)=C2CC1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=ZECKYPQLJADPFM-GWQXNCQPSA-N
Formula
C24H22O9
Mass
454.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
- 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
Not available
Direct Parent
Flavan-3-ols
Alternative Parents
4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Galloyl esters m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyrans Pyrogallols and derivatives Ortho cresols Benzoyl derivatives m-Xylenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyflavonoid - Flavan-3-ol - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Pyrogallol derivative - Benzenetriol - M-xylene - Xylene - Benzoyl - O-cresol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Organoheterocyclic compound - Ether - Polyol - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-3-ols. These are flavans that bear and hydroxyl group at position 3 (B ring), but not at position 4.
External Descriptors
Not available