Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(OCC1=C(F)C(F)=C(F)C(F)=C1F)C=C2)C1=CC=C(Br)C=C1

InChIKey

InChIKey=ACRACSXGCICRFE-UHFFFAOYSA-N

Formula

C25H14BrF5O5

Mass

569.278

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Chromone - Benzopyran - 1-benzopyran - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Pyranone - Aryl halide - Benzenoid - Pyran - Monocyclic benzene moiety - Aryl bromide - Aryl fluoride - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organofluoride - Organic oxide - Organobromide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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