Compound Identification
SMILES
CC1CC2OC(=O)C(=C)C2CC=C1C=CC(C)=O
InChIKey
InChIKey=RBRPTFMVULVGIC-UHFFFAOYSA-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 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 Enones Enoate esters Acryloyl compounds Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Xanthanolide-skeleton - Sesquiterpenoid - Xanthane sesquiterpenoid - Gamma butyrolactone - Acryloyl-group - Enone - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organooxygen compound - 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