Compound Identification
SMILES
CN1C(N)=C(C[C@H]2[C@@H]3CCC(=C)[C@@H]4CCC(=C)[C@@H]4[C@H]3OC2=O)C(=O)N(C)C1=O
InChIKey
InChIKey=AMCZTNQYEULFGZ-JBJRXJHCSA-N
Formula
C21H27N3O4
Mass
385.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 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 Aminopyrimidines and derivatives Pyrimidones Gamma butyrolactones Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Amino acids and derivatives Ureas Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Aminopyrimidine - Pyrimidone - Gamma butyrolactone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Urea - Amino acid or derivatives - Lactone - Lactam - Carboxylic acid ester - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Aromatic 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