Compound Identification
SMILES
CC12OC1CC1C2C2OC(=O)C(CN3CCN(CC3)C(=O)C3=CC=CC=C3)C2CCC1=C
InChIKey
InChIKey=AQKVTOZBUQIDGD-UHFFFAOYSA-N
Formula
C26H32N2O4
Mass
436.552
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 Benzamides Benzoyl derivatives N-alkylpiperazines Oxanes Gamma butyrolactones Tertiary carboxylic acid amides Oxolanes Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Epoxides Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Benzamide - Benzoic acid or derivatives - Benzoyl - N-alkylpiperazine - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - 1,4-diazinane - Oxane - Piperazine - Tertiary carboxylic acid amide - Oxolane - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Lactone - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - 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