Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C2=CC(CCCCC(O)CCC3=CC(Br)=C(O)C2=C3)=C1O

InChIKey

InChIKey=JSWPRTWZOZPJPU-UHFFFAOYSA-N

Formula

C21H25BrO5

Mass

437.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Cyclic diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Meta,meta-bridged biphenyls

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Meta,meta-bridged biphenyl - Anisole - Phenol ether - 2-halophenol - 2-bromophenol - Alkyl aryl ether - Phenol - Benzenoid - Aryl bromide - Aryl halide - Secondary alcohol - Ether - Polyol - Organobromide - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as meta,meta-bridged biphenyls. These are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position.

External Descriptors

Not available

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