Structure Information
Structure

Compound Identification

SMILES

CCN1C2=C(SC3=C1C=CC(=C3)C(\O)=C/C(=O)C(F)(F)F)C=C(C=C2)C(\O)=C\C(=O)C1=CC=CC=C1

InChIKey

InChIKey=PMKXIELNESQYGO-OQRYGUKSSA-N

Formula

C27H20F3NO4S

Mass

511.52

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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 - Alkyldiarylamine - Diarylthioether - Benzothiazine - Aryl thioether - Benzoyl - Styrene - Aryl ketone - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary amine - Ketone - Thioether - Azacycle - Organoheterocyclic compound - Enol - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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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