Compound Identification
SMILES
COC1=CC(OC)=C2CC(OC(C)=O)C(OC2=C1C1=CC(OC)=C(OC)C2=C1CC(OC(C)=O)C(O2)C1=CC(OC)=C(OC)C=C1)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=UBLSSMATXZFSQO-UHFFFAOYSA-N
Formula
C42H46O14
Mass
774.816
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
-
Level 5
Flavan-3-ols
- Level 6 Catechins
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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
3'-O-methylated flavonoids 4'-O-methylated flavonoids 8-O-methylated flavonoids 7-O-methylated flavonoids 5-O-methylated flavonoids 1-benzopyrans Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 8-methoxyflavonoid-skeleton - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Chromane - Benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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