Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)C(\C(=C(\Br)C(=S)N1CCCCC1)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=OIDDSRLWSKNSIV-IMVLJIQESA-N

Formula

C29H28BrNO2S

Mass

534.51

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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 heteromonocyclic compounds

Substituents

Retro-dihydrochalcone - Stilbene - Alkyl-phenylketone - Butyrophenone - Phenylketone - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Phenol ether - Methoxybenzene - Anisole - Benzoyl - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Thioamide - Ketone - Azacycle - Ether - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Thiocarboxylic acid amide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Thiocarbonyl group - Aromatic heteromonocyclic 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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