Compound Identification
SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C[C@H](O)C(O)C=C)=C2C)C1(C)C
InChIKey
InChIKey=CATXPAWUNIAZOF-GSNHWTGYSA-N
Formula
C21H30O5
Mass
362.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
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Level 5
Pyrethroids
- Level 6 Pyrethrins
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Level 5
Pyrethroids
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Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Pyrethroids
Direct Parent
Pyrethrins
Alternative Parents
Fatty alcohol esters Monocyclic monoterpenoids Cyclopropanecarboxylic acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Secondary alcohols Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Pyrethrin-backbone - Fatty alcohol ester - Monoterpenoid - Monocyclic monoterpenoid - Alpha-branched alpha,beta-unsaturated-ketone - Cyclopropanecarboxylic acid or derivatives - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrethrins. These are pyrethroids with a structure based on a skeleton that is characterized by the presence of a chrysanthemic acid esterified with a cyclopentenone derivative.
External Descriptors
Not available