Compound Identification
SMILES
COC(=O)C1=CCCC(C)=CC2OC(=O)C(=C)C2C(OC(=O)C(C)(O)C(C)O)C1OC(C)=O
InChIKey
InChIKey=WKVRXCYBZOWRLM-UHFFFAOYSA-N
Formula
C23H30O10
Mass
466.483
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 Germacranolides 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
Germacranolides and derivatives
Alternative Parents
Germacrane sesquiterpenoids Tetracarboxylic acids and derivatives Fatty acid esters Beta hydroxy acids and derivatives Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Methyl esters Enoate esters Secondary alcohols 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Tetracarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Methyl ester - Tetrahydrofuran - Lactone - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.
External Descriptors
Not available