Compound Identification
SMILES
[H][C@@]1(CCCN1C[C@]1([H])C(=O)O[C@@]2([H])[C@@]1([H])CCC(=C)[C@]1([H])CCC(=C)[C@]21[H])C(O)=O
InChIKey
InChIKey=XXYMNUOJMDOHBS-WJWMFLMHSA-N
Formula
C20H27NO4
Mass
345.439
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 Proline and derivatives D-alpha-amino acids Pyrrolidine carboxylic acids N-alkylpyrrolidines Dicarboxylic acids and derivatives Gamma butyrolactones Tetrahydrofurans Trialkylamines Amino acids Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Sesquiterpenoid - Guaiane sesquiterpenoid - Proline or derivatives - D-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Tetrahydrofuran - Pyrrolidine - Lactone - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - 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