Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1CC[C@]2(OCC(=C2)C2=C(OC)C=CC(=C2)N(C)C(=O)C2=C(C)N=NS2)[C@@H]1C1=CC=C(F)C=C1

InChIKey

InChIKey=CYUKMGODFOOFTB-FFCVWOAGSA-N

Formula

C28H28FN3O5S

Mass

537.61

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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 - Aromatic anilide - Monoterpenoid - 11-noriridane monoterpenoid - Aromatic monoterpenoid - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - 2-heteroaryl carboxamide - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Methyl ester - Thiadiazole - Tertiary carboxylic acid amide - Dihydrofuran - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Oxacycle - Dialkyl ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - 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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