Compound Identification
SMILES
[Na+].CN(C)C=O.CC1=CC=C(C=C1)C(=O)CCC1=CC=C(OP([O-])(=O)OC2=CC(C)=CC(C)=C2)C=C1
InChIKey
InChIKey=GBZYONIALHMRQE-UHFFFAOYSA-M
Formula
C27H31NNaO6P
Mass
519.51
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 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 Aryl phosphodiesters m-Xylenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Toluenes Tertiary carboxylic acid amides Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Aryl phosphodiester - Butyrophenone - Aryl phosphate - Phenylketone - Benzoyl - Phenoxy compound - M-xylene - Xylene - Aryl ketone - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic salt - 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