Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1CCN(CC#CC2=CC=C(C=C2)C(=CCSC2=CC(C)=C(OCC(O)=O)C=C2)C2=CC=C(C=C2)C#CCN2CCN(CC2)C(C)=O)CC1

InChIKey

InChIKey=YSOQHORHVZCTDA-UHFFFAOYSA-N

Formula

C42H46N4O5S

Mass

718.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Phenoxyacetate - Phenol ether - Phenoxy compound - Aryl thioether - Styrene - Thiophenol ether - Alkylarylthioether - N-alkylpiperazine - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Acetamide - Tertiary carboxylic acid amide - Amino acid - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

External Descriptors

Not available

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