Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1([C@H]2OC3=CC=CC=C3[C@@]12C)C1=CC=C(Br)C=C1

InChIKey

InChIKey=RBCRYMBCWWTDQB-JQHSSLGASA-N

Formula

C18H15BrO3

Mass

359.219

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavan - Chromane - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Aryl bromide - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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