Compound Identification
SMILES
Cl.CN(C)CC1=CC(=CC(CN(C)C)=C1O)C(=O)C=CC1=CC=C(F)C=C1
InChIKey
InChIKey=MEIDDOJVCKAUCZ-UHFFFAOYSA-N
Formula
C21H26ClFN2O2
Mass
392.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamylphenols Cinnamic acids and derivatives Aryl ketones Styrenes Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Phenols Fluorobenzenes Aryl fluorides Acryloyl compounds Enones Trialkylamines Hydrochlorides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Benzoyl - Benzylamine - Aryl ketone - Phenylmethylamine - Styrene - Fluorobenzene - Halobenzene - Aralkylamine - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Tertiary amine - Tertiary aliphatic amine - Ketone - Organooxygen compound - Hydrocarbon derivative - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available