Compound Identification
SMILES
CN[C@@H]([C@@H](OC(C)=O)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=AQDBIAAXMGLEGF-AEFFLSMTSA-N
Formula
C18H18N2O5
Mass
342.351
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
-
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 Benzyloxycarbonyls Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Aralkylamines Alpha-amino ketones Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Benzyloxycarbonyl - Nitrobenzene - Phenylketone - Nitroaromatic compound - Benzoyl - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Organic nitro compound - Carboxylic acid ester - Ketone - Amino acid or derivatives - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxoazanium - Organic oxygen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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