Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C1=CC=C(C=C1)C(C1C(=O)OC2=CC=CC=C2C1=O)C(=N)N1CCCCC1

InChIKey

InChIKey=VMANVQWYQVKQON-UHFFFAOYSA-N

Formula

C28H25BrN2O3

Mass

517.423

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Homoisoflavonoids

Subclass

Homoisoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Homoisoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Homoisoflavan - Terpene lactone - Brominated biphenyl - Biphenyl - 3,4-dihydrocoumarin - Chromone - P-cymene - Aromatic monoterpenoid - Chromane - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Piperidine - Benzenoid - Aryl halide - 1,3-dicarbonyl compound - Aryl bromide - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid amidine - Oxacycle - Organoheterocyclic compound - Carboximidamide - Monocarboxylic acid or derivatives - Amidine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as homoisoflavans. These are homoisoflavonoids with a structure based on the chromane system. Chromone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran.

External Descriptors

Not available

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