Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC3=C(OC(=O)C4=CC=C(Br)C=C4)C=CC(CCC(=O)CCCCC(C=C2)=C1)=C3

InChIKey

InChIKey=CPLJCLBRRIDLPO-UHFFFAOYSA-N

Formula

C27H25BrO5

Mass

509.396

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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,para-diphenylether diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Meta,para-diphenylether diarylheptanoid - Oxyneolignan skeleton - Diaryl ether - Benzoate ester - Phenol ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as meta,para-diphenylether diarylheptanoids. These are cyclic diarylheptanoids where the two benzene rings are linked to each other by an ether group conjugated to the 3-position of one benzene ring and the 4-position of the other ring.

External Descriptors

Not available

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