Compound Identification
SMILES
CC(CO)C(=O)O[C@H]1C\C(C)=C\CC\C(CO)=C\[C@H]2OC(=O)C(CN3CCCC3C(O)=O)[C@H]12
InChIKey
InChIKey=MBXSNCXZIGQACI-OASRDNRDSA-N
Formula
C24H35NO8
Mass
465.543
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Proline and derivatives Alpha amino acids Tricarboxylic acids and derivatives Pyrrolidine carboxylic acids Beta hydroxy acids and derivatives N-alkylpyrrolidines Gamma butyrolactones Oxolanes Trialkylamines Amino acids Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Proline or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Beta-hydroxy acid - Gamma butyrolactone - Hydroxy acid - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Lactone - Tertiary aliphatic amine - Azacycle - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - 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