Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H]1CC[C@@]2(C)CC3=C(N=C(C)S3)[C@@H](C)[C@@H]2[C@H]1O)C(=O)N1CCN(C)CC1

InChIKey

InChIKey=WFVUWTNDBYLXCG-KXLDTMSRSA-N

Formula

C22H35N3O2S

Mass

405.6

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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

Elemane sesquiterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Elemane sesquiterpenoid - Naphthothiazole - N-alkylpiperazine - N-methylpiperazine - Piperazine - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Cyclic alcohol - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Imidothioester - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Imidothioic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.

External Descriptors

Not available

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