Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(SC2=C(C=C(C=CC(=O)C3=CC4=C(SC5=CC=CC=C5N4)C=C3)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=ATALHQVQTFWYCP-UHFFFAOYSA-N

Formula

C28H20N2O3S2

Mass

496.6

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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 heteropolycyclic compounds

Substituents

Retrochalcone - Phenothiazine - Cinnamic acid or derivatives - Diarylthioether - Benzothiazine - Nitrobenzene - Aryl thioether - Aryl ketone - Nitroaromatic compound - Styrene - Thiophenol ether - Toluene - Monocyclic benzene moiety - Para-thiazine - Primary aromatic amine - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Thioether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organosulfur compound - Organic oxide - Amine - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic 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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