Compound Identification
SMILES
OC(=O)\C=C\C1=CC(CCC(=O)C2=CC(NC3=NCCCN3)=CC=C2)=CC=C1
InChIKey
InChIKey=JADURDFRHXVWKC-PKNBQFBNSA-N
Formula
C22H23N3O3
Mass
377.444
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Cinnamic acids Butyrophenones Styrenes Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Hydropyrimidines Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Cinnamic acid - Cinnamic acid or derivatives - Butyrophenone - Phenylketone - Benzoyl - Styrene - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Ketone - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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