Compound Identification
SMILES
COC(=O)C1=C(\C=C2/[C@@H]3CC\C(C)=C\CC[C@@]4(C)O[C@H]4[C@H]3OC2=O)C=CC=C1F
InChIKey
InChIKey=APNSHNKQGAJRBX-UNASIDQKSA-N
Formula
C23H25FO5
Mass
400.446
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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 2-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Fluorobenzenes Aryl fluorides Gamma butyrolactones Vinylogous halides Oxolanes Methyl esters Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Aryl halide - Aryl fluoride - Enoate ester - Methyl ester - Vinylogous halide - Oxolane - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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