Compound Identification
SMILES
CO[C@H]1CC2=C(OC)C=C(OC)C=C2O[C@@H]1C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=NNJWBZJTAKJKBL-VQTJNVASSA-N
Formula
C20H24O6
Mass
360.406
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
7-O-methylated flavonoids 5-O-methylated flavonoids 4'-O-methylated flavonoids 3-O-methylated flavonoids 3'-O-methylated flavonoids Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3p-methoxyflavonoid-skeleton - 3-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - O-dimethoxybenzene - Dimethoxybenzene - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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