Structure Information
Structure

Compound Identification

SMILES

CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C(\C(=C\C)C2=CC(=CC=C2)[N+]([O-])=O)C(=O)O1

InChIKey

InChIKey=QJDIYGJVUJTACB-YGNIGKCSSA-N

Formula

C25H27NO5

Mass

421.493

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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 - Nitrobenzene - Nitroaromatic compound - Styrene - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Oxane - 1,3-dicarbonyl compound - Benzenoid - Carboxylic acid ester - Ketone - Lactone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic cation - 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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