Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)OC1=CC=C(C=C1)C(=O)C(\CC1=CC=C(C)C=C1)=C(\C([O-])=O)C1=CC2=NSN=C2C=C1

InChIKey

InChIKey=CPRSQIXLGDBCFU-OSMRDGEFSA-M

Formula

C27H23N2NaO4S

Mass

494.54

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