Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=CC(C\C(C(=O)C2=CC(Cl)=C(OC)C=C2)=C(\C([O-])=O)C2=CC3=NSN=C3C=C2)=CC(OC)=C1OC

InChIKey

InChIKey=MDBOQGSHFALIPE-IJVOEZGUSA-M

Formula

C27H22ClN2NaO7S

Mass

576.98

Export to:

JSON SDF CSV

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

Retrochalcones Cinnamic acids and derivatives Butyrophenones Benzothiadiazoles Phenoxy compounds Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Thiadiazoles Heteroaromatic compounds Enones Carboxylic acid salts Monocarboxylic acids and derivatives Organic metal halides Azacyclic compounds Carboxylic acids Organic oxides Organic sodium salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organochlorides

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 - Chlorobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Acryloyl-group - Enone - Thiadiazole - Alpha,beta-unsaturated ketone - Azole - Heteroaromatic compound - 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 - Organochloride - Organic oxygen compound - 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

Previous Back Next