Compound Identification
SMILES
CCOC(=O)C1C(CC(=O)C=C1O)C1=CC=C(C=C1)C1CCCCC1
InChIKey
InChIKey=BIXOESCQCQIXGZ-UHFFFAOYSA-N
Formula
C21H26O4
Mass
342.435
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Benzene and substituted derivatives Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Enol - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available