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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Elemane sesquiterpenoids
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Subclass
Sesquiterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
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
Naphthothiazoles N-methylpiperazines N-acyl amines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary alcohols Imidothioesters Cyclic alcohols and derivatives Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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