Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(NCCO)C=C1
InChIKey
InChIKey=BVNNFVCJCUPJQK-UHFFFAOYSA-N
Formula
C18H19NO3
Mass
297.354
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 Butyrophenones Phenylalkylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Toluenes Secondary alkylarylamines Beta-diketones 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - 1,3-diketone - Toluene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - 1,2-aminoalcohol - Ketone - Alkanolamine - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Alcohol - Amine - Aldehyde - Hydrocarbon derivative - Organopnictogen 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