Compound Identification
SMILES
CC1=C2C[C@H]3[C@@H](CCC3=C)[C@@](C)(O)C=C2OC1=O
InChIKey
InChIKey=JMOYGQYPTBDGQO-HCKVZZMMSA-N
Formula
C15H18O3
Mass
246.306
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 Butenolides Tertiary alcohols Enol esters Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - 2-furanone - Dihydrofuran - Enol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen 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