Compound Identification
SMILES
C\C=C(\COC(C)=O)C(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)C2=C)[C@@H]2[C@@H](C[C@H]3O[C@]23C)C(=C)[C@H]1O
InChIKey
InChIKey=JGHRVXZPUCLANB-NHFDHFCXSA-N
Formula
C22H26O8
Mass
418.442
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
Guaianes Tricarboxylic acids and derivatives Fatty acid esters Oxanes Gamma butyrolactones Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Sesquiterpenoid - Guaiane sesquiterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Oxane - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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