Structure Information
Structure

Compound Identification

SMILES

OCCOCC(O)(C(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=ISKADTQFPVQCIW-UHFFFAOYSA-N

Formula

C18H16N2O9

Mass

404.331

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Phenylketone - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Acyloin - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Dialkyl ether - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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

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