Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=C(F)C=C(C\C(C(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)=C(/C([O-])=O)C2=CC3=NSN=C3C=C2)C=C1

InChIKey

InChIKey=UWTSAAQGKOLWFT-DHRMVMEWSA-M

Formula

C31H22FN2NaO5S

Mass

576.57

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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 heteropolycyclic compounds

Substituents

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