Compound Identification
SMILES
[Na+].CC(C)C1=CC=C(C=C1)C(=C/CC(N)C([O-])=O)\C1=CC=C(C=C1)C#N
InChIKey
InChIKey=MGURFUBGKCTDLK-XHFAFUTOSA-M
Formula
C21H21N2NaO2
Mass
356.401
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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Class
Prenol lipids
-
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 Alpha amino acids Aromatic monoterpenoids Phenylpropanes Cumenes Styrenes Benzonitriles Medium-chain fatty acids Unsaturated fatty acids Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Nitriles Carboxylic acids Organic zwitterions Carbonyl compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Alpha-amino acid - Alpha-amino acid or derivatives - P-cymene - Cumene - Phenylpropane - Benzonitrile - Styrene - Medium-chain fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic zwitterion - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic sodium salt - Carbonyl group - Organic oxide - Organic nitrogen compound - Cyanide - Amine - Organic oxygen compound - Organic salt - Aromatic homomonocyclic 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