Compound Identification
SMILES
NC(=O)C[C@H](NC[C@H]1[C@@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O)C(O)=O
InChIKey
InChIKey=MZFVEYVQALPRDY-HHHJXDIYSA-N
Formula
C19H26N2O5
Mass
362.426
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 Guaianolides 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
Guaianolides and derivatives
Alternative Parents
Guaianes Asparagine and derivatives L-alpha-amino acids Heterocyclic fatty acids Dicarboxylic acids and derivatives Fatty amides Gamma butyrolactones Oxolanes Primary carboxylic acid amides Amino acids Carboxylic acid esters Dialkylamines Carboxylic acids Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Asparagine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Heterocyclic fatty acid - Dicarboxylic acid or derivatives - Fatty amide - Gamma butyrolactone - Fatty acyl - Oxolane - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid - Lactone - Primary carboxylic acid amide - Oxacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available