Compound Identification
SMILES
C[C@H]1C[C@H]2OC(=O)C(=C)[C@@H]2CC=C1CCC(C)=O
InChIKey
InChIKey=AVFIYMSJDDGDBQ-QCZZGDTMSA-N
Formula
C15H20O3
Mass
248.322
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 Xanthanolides
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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
Xanthanolides
Alternative Parents
Sesquiterpenoids Gamma butyrolactones Oxolanes Enoate esters Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Xanthanolide-skeleton - Sesquiterpenoid - Xanthane sesquiterpenoid - Gamma butyrolactone - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11.
External Descriptors
Not available