Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(N)OC2=C(C=CC3=C2N=C(\C=C\C2=CC=C(F)C=C2)C=C3)C1C1=CC=C(Br)C=C1

InChIKey

InChIKey=JRGKIQYZYGLNMH-LHHJGKSTSA-N

Formula

C29H22BrFN2O3

Mass

545.408

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavonoid skeleton - Pyranoquinoline - Chromenopyridine - Quinoline - Benzopyran - 1-benzopyran - Styrene - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Pyridine - Vinylogous ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organobromide - Organooxygen compound - Amine - Organonitrogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.

External Descriptors

Not available

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