Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1CC[C@]2(OCC(=C2)C2=C(OC)C=CC(=C2)N(C)C2=NC=C(S2)[N+]([O-])=O)[C@@H]1C1=CC=C(F)C=C1

InChIKey

InChIKey=JZJYDZNVNCHJIS-NFCJYOSASA-N

Formula

C27H26FN3O6S

Mass

539.58

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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 heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Alkyldiarylamine - 11-noriridane monoterpenoid - Aromatic monoterpenoid - Monoterpenoid - Methoxyaniline - Nitrothiazole - Nitroaromatic compound - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Anisole - Alkyl aryl ether - Halobenzene - Fluorobenzene - 2,5-disubstituted 1,3-thiazole - Aryl fluoride - 1,3-thiazol-2-amine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Methyl ester - Thiazole - Heteroaromatic compound - Azole - Dihydrofuran - Tertiary amine - C-nitro compound - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic salt - Organic oxide - Organohalogen compound - Organic cation - Aromatic heteropolycyclic 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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