Compound Identification
SMILES
COC1=CC(OC)=C([C@@H]2[C@H](O)[C@H](OC3=CC(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C23)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)C(OC)=C1
InChIKey
InChIKey=CHSKWOQMEHIXKW-LIFCFFGOSA-N
Formula
C52H48O9
Mass
816.947
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
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-hydroxyflavonoids Neoflavans 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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