Structure Information
Structure

Compound Identification

SMILES

CNC(=O)COC1=CC=C(C=C1)C1=C(CC2=CC(OC)=C(C=C2)N2CCCC2)C=CC(O)=C1

InChIKey

InChIKey=QDONQRBBGQBKIQ-UHFFFAOYSA-N

Formula

C27H30N2O4

Mass

446.547

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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 - Diphenylmethane - Biphenyl - 1-phenylpyrrolidine - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenol ether - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen 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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