Compound Identification
SMILES
CC1=CC=C(NC(CC(=O)C2=CC=C(C)C=C2)C2=CC=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=HSVWFESXDJNSDE-UHFFFAOYSA-N
Formula
C23H22N2O3
Mass
374.44
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
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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 Nitrobenzenes Aminotoluenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Beta-amino ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Phenylketone - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Benzoyl - Aralkylamine - Secondary aliphatic/aromatic amine - Toluene - Benzenoid - Monocyclic benzene moiety - Beta-aminoketone - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - 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