Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)CC(=O)C1=C(O)C(Br)=C(OCC)C=C1OCC
InChIKey
InChIKey=ZAEQMWNRDDQKMF-UHFFFAOYSA-N
Formula
C21H23BrO6
Mass
451.313
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
2'-Hydroxy-dihydrochalcones Cinnamylphenols Alkyl-phenylketones Butyrophenones Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Phenol ethers O-bromophenols Bromobenzenes Beta-diketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Vinylogous acids Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2'-hydroxy-dihydrochalcone - Retro-dihydrochalcone - Cinnamylphenol - Alkyl-phenylketone - Butyrophenone - Phenylketone - 2-halophenol - 2-bromophenol - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Halobenzene - Bromobenzene - 1,3-diketone - 1,3-dicarbonyl compound - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous acid - Ketone - Ether - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available