Compound Identification
SMILES
CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC(F)(F)C3)[C@@H]2CC1
InChIKey
InChIKey=CAYQPNQWOLHPCM-YXISZKLHSA-N
Formula
C19H27F2NO3
Mass
355.426
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
-
Subclass
Terpene lactones
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Level 5
Sesquiterpene lactones
- Level 6 Germacranolides and derivatives
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Level 5
Sesquiterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Sesquiterpene lactones
Direct Parent
Germacranolides and derivatives
Alternative Parents
Germacrane sesquiterpenoids Gamma butyrolactones N-alkylpyrrolidines Oxolanes Amino acids and derivatives Carboxylic acid esters Trialkylamines Oxacyclic compounds Azacyclic compounds Epoxides Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Gamma butyrolactone - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.
External Descriptors
Not available