Compound Identification
SMILES
C[C@H]1CCC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@H]2[C@@H](C1)OC(=O)C2=C)OC(C)=O
InChIKey
InChIKey=HBRKQMNFEIZZOU-AGKHZPTMSA-N
Formula
C21H28O7
Mass
392.448
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
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 Tricarboxylic acids and derivatives Alpha-acyloxy ketones Gamma butyrolactones Tetrahydrofurans Enoate esters Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Tricarboxylic acid or derivatives - Alpha-acyloxy ketone - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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
CHEBI:66602 : cyclic ketone - acetate ester - germacranolide