Compound Identification
SMILES
BrC1=C(OCC2=CC=CC=C2)C=C(OCC2=CC=CC=C2)C2=C1O[C@@H]([C@H](C2)OCC1=CC=CC=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=DAWNCFLKHOHXHZ-LBSNMELDSA-N
Formula
C50H43BrO6
Mass
819.792
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
1-benzopyrans Benzylethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Chromane - Benzopyran - 1-benzopyran - Benzylether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - 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