Structure Information
Structure

Compound Identification

SMILES

COC1=C(F)C=C(C=C1)C(=O)C(\CC1CCCCC1)=C(/C(O)=O)C1=CC2=NSN=C2C=C1

InChIKey

InChIKey=JAGRCEWHCIOCJZ-XLNRJJMWSA-N

Formula

C24H23FN2O4S

Mass

454.52

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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 - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenol ether - Phenoxy compound - Aryl ketone - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Acryloyl-group - Azole - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiadiazole - Enone - Ketone - Monocarboxylic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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