Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=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=MRRIVBKZDDDZJP-NNLGMZJTSA-M

Formula

C33H35N2NaO7S

Mass

626.7

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