Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=CC=C(C=C1)C(=O)C(CC1=CC2=C(OCO2)C=C1)=C(C([O-])=O)C1=CC2=NSN=C2C=C1

InChIKey

InChIKey=NYFXVGBSKIOXSC-UHFFFAOYSA-M

Formula

C25H17N2NaO6S

Mass

496.47

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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 - Benzodioxole - 2,1,3-benzothiadiazole - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Thiadiazole - Azole - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Organic alkali metal salt - Azacycle - Oxacycle - Carboxylic acid - Acetal - Organic salt - Carbonyl group - Organic oxygen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic sodium salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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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