Compound Identification
SMILES
CCCCC1=CC=C(N[C@@H](CC(=O)C2=CC=C(OC)C=C2)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=QWZFVQQWZZPKGK-VWLOTQADSA-N
Formula
C26H28BrNO2
Mass
466.419
Taxonomic Classification
Taxonomy Tree
-
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
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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
Alkyl-phenylketones Butyrophenones Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Secondary alkylarylamines Bromobenzenes Aryl bromides Beta-amino ketones Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Bromobenzene - Halobenzene - Benzenoid - Beta-aminoketone - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ketone - Secondary amine - Ether - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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