Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(SC2=C(C=C(\C=C\C(=O)C3=CC=C(NS(=O)(=O)C4=CC=C(C)C=C4)C=C3)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=GABVIRQCRAFVGR-REZTVBANSA-N

Formula

C29H24N2O5S2

Mass

544.64

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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

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - P-toluenesulfonamide - Diarylthioether - Tosyl compound - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Aryl thioether - Thiophenol ether - Aryl ketone - Nitroaromatic compound - Styrene - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ketone - C-nitro compound - Organic nitro compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic cation - 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

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