Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1C2CC(CC=C2C(C#N)(C#N)C(N)=C1C#N)C(C)(C)C
InChIKey
InChIKey=KIYAZLDHHSOTQL-UHFFFAOYSA-N
Formula
C25H26N4O2
Mass
414.509
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
Benzoic acid esters Benzoyl derivatives Methyl esters Amino acids and derivatives Nitriles Enamines Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cadinane sesquiterpenoid - Sesquiterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Primary aliphatic amine - Hydrocarbon derivative - Primary amine - Amine - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic 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