Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(S[C@@H]([C@@H](CN2C=NC=N2)C(=O)C2=CC=C(Br)C=C2)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=FRYQDDYCEDXJMK-UKILVPOCSA-N

Formula

C25H22BrN3OS

Mass

492.44

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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 - Alkyl-phenylketone - Butyrophenone - Phenylketone - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketone - Organoheterocyclic compound - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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