Structure Information
Structure

Compound Identification

SMILES

[Na+].CSC1=CC=C(C=C1)C(=O)C(\CC1=CC(OC(C)C)=C(OC(C)C)C(OC(C)C)=C1)=C(\C([O-])=O)C1=CC2=NSN=C2C=C1

InChIKey

InChIKey=IOXKRYJNOITDOL-KEDMHLQRSA-M

Formula

C33H35N2NaO6S2

Mass

642.76

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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 - Aryl thioether - Phenol ether - Thiophenol ether - Benzoyl - Phenoxy compound - Aryl ketone - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Azole - Enone - Acryloyl-group - Thiadiazole - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Carboxylic acid salt - Ketone - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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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