Structure Information
Structure

Compound Identification

SMILES

OC1=C(Br)C2=C(C=C1)[C@H]([C@@H]1C=CC(=O)C(Br)=C1O2)C1=CC=CC=C1C([O-])=O

InChIKey

InChIKey=STNLDGRMGIALNR-NHYWBVRUSA-M

Formula

C20H11Br2O5

Mass

491.112

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavan - Dibenzopyran - Xanthene - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Alpha-haloketone - Cyclic ketone - Carboxylic acid salt - Ketone - Vinyl halide - Vinyl bromide - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Bromoalkene - Monocarboxylic acid or derivatives - Haloalkene - Organoheterocyclic compound - Carbonyl group - Organobromide - Aldehyde - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.

External Descriptors

Not available

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