Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=CC=C1CCNNC(=O)[C@@]1(CC2=CC=CC=C2Br)N=C(O[C@H]1C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(OCCCO)C=C1

InChIKey

InChIKey=CGYZWYDWANAPPJ-PYLAIEKPSA-N

Formula

C42H42BrN3O5

Mass

748.718

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Biphenyl - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazoline - Carboxylic acid hydrazide - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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