Compound Identification
SMILES
CC[N+](CC)(CCOC1=C(C)C=C(C=C1C)C(=O)CC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=CC=CC=C1
InChIKey
InChIKey=HJHLNWWBQREEOZ-UHFFFAOYSA-N
Formula
C36H42NO2
Mass
520.736
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 Diphenylmethanes Butyrophenones m-Xylenes Aryl alkyl ketones Benzoyl derivatives Benzylamines Phenylmethylamines Phenol ethers Phenoxy compounds Cholines Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Diphenylmethane - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Aryl ketone - Aryl alkyl ketone - Xylene - M-xylene - Choline - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Ether - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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