Compound Identification
SMILES
COC(=O)C(C)(CC(=O)C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HIKOKLUHCNDZAP-UHFFFAOYSA-N
Formula
C18H16ClNO5
Mass
361.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
-
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 Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Gamma-keto acids and derivatives Chlorobenzenes Fatty acid esters Aryl chlorides Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organic salts Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Nitrobenzene - Benzoyl - Nitroaromatic compound - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Keto acid - Methyl ester - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic cation - 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