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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- 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
Sesquiterpenoids
Alternative Parents
Diphenylmethanes Phenoxyacetic acid derivatives Phenol ethers Thiophenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers Alkylarylthioethers N-alkylpiperazines Toluenes Acetamides Tertiary carboxylic acid amides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
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