Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C[C@H]2[C@H](CC(=O)C3=CC=CC=C3)[C@H](OC2=O)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=CLQAEMGFPFUPLA-WPFOTENUSA-N

Formula

C25H21BrO3

Mass

449.344

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Lignan lactones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lignan lactones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Lignan lactone - Tetrahydrofuran lignan - 7,9p-epoxylignan - Furanoid lignan - Alkyl-phenylketone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.

External Descriptors

Not available

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