Structure Information
Structure

Compound Identification

SMILES

BrCC1=CC2=CC3=C(COC3=O)C(C3=CC=CC=C3)=C2C=C1

InChIKey

InChIKey=WHZLTRJFWZIHTE-UHFFFAOYSA-N

Formula

C19H13BrO2

Mass

353.215

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Arylnaphthalene lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Arylnaphthalene lignans

Alternative Parents

Lignan lactones Naphthofurans Phthalides Naphthalenes Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Arylnaphthalene lignan skeleton - Lignan lactone - Naphthofuran - Isobenzofuranone - Phthalide - Naphthalene - Isocoumaran - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Alkyl bromide - Organic oxide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.

External Descriptors

Not available

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