Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1OCC1=CN(CC(O)COC2=C(C)C(=O)SC2C)N=N1

InChIKey

InChIKey=ZROKFBGFJQVEAA-JLHYYAGUSA-N

Formula

C28H29N3O6S

Mass

535.62

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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 heteromonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Styrene - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - 2,5-dihydrothiophene - Enone - 1,2,3-triazole - Vinylogous ester - Carbothioic s-lactone - Alpha,beta-unsaturated ketone - Thiocarboxylic acid ester - Secondary alcohol - Ketone - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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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