Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C=CC(=O)C2=CC=CC=C2Br)=C(C)C=C1

InChIKey

InChIKey=NATUHAPDAYXMOS-UHFFFAOYSA-N

Formula

C17H15BrO

Mass

315.21

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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 homomonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - P-xylene - Xylene - Benzoyl - Aryl ketone - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - Ketone - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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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