Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(\[C@@H](C[N+]([O-])=O)C1=CC=CC=C1)=C(/N[C@H](C)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=LVAVXKQMLUIBIL-IFKBTRISSA-N

Formula

C27H28N2O4

Mass

444.531

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Linear 1,3-diarylpropanoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Linear 1,3-diarylpropanoid - Cinnamic acid or derivatives - Cinnamic acid ester - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.

External Descriptors

Not available

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