Compound Identification
SMILES
CCC(C)C(O)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O[C@@H]3O[C@H](COC(=O)CC4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
InChIKey
InChIKey=KAQPATNEOPHOGD-NBITYMKOSA-N
Formula
C35H44O13
Mass
672.724
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
-
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
Terpene glycosides Guaianes O-glycosyl compounds Tricarboxylic acids and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Gamma butyrolactones Benzene and substituted derivatives Tetrahydrofurans Enoate esters Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene glycoside - Guaianolide-skeleton - Sesquiterpenoid - Guaiane sesquiterpenoid - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Oxane - Monosaccharide - Gamma butyrolactone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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