Compound Identification
SMILES
O[C@@H]1CC2=C(O[C@@H]1C1=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C1)C(Br)=C(OCC1=CC=CC=C1)C=C2OCC1=CC=CC=C1
InChIKey
InChIKey=DXWUUTLEIWQWTK-CBZWEFONSA-N
Formula
C43H37BrO6
Mass
729.667
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 1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl bromides Secondary alcohols Oxacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Alcohol - 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