Structure Information
Structure

Compound Identification

SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CC1=CC=CO1)=C(C(O)=O)C1=CC2=NSN=C2C=C1

InChIKey

InChIKey=AJHXVOONBJJWIM-UHFFFAOYSA-N

Formula

C24H20N2O5S

Mass

448.49

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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

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Butyrophenone - 2,1,3-benzothiadiazole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Azole - Enone - Furan - Heteroaromatic compound - Thiadiazole - Alpha,beta-unsaturated ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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