Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(\C=C2/[C@@H]3CC\C(C)=C\CC[C@@]4(C)O[C@H]4[C@H]3OC2=O)C=C1

InChIKey

InChIKey=HKAOHJNFEFHNAY-DOKYNJTPSA-N

Formula

C23H28O3

Mass

352.474

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic 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

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