Compound Identification
SMILES
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=C(Cl)C2=O
InChIKey
InChIKey=IWODEDMZZHXMJY-UHEPVNHGSA-N
Formula
C15H17ClO3
Mass
280.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Sesquiterpene lactones
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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
Ambrosanolides and secoambrosanolides
Alternative Parents
Pseudoguaianes Gamma butyrolactones Tetrahydrofurans Enoate esters Alpha-chloroketones Vinyl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ambrosanolide - Pseudoguaiane sesquiterpenoid - Sesquiterpenoid - Gamma butyrolactone - Alpha-haloketone - Alpha-chloroketone - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Lactone - Vinyl chloride - Chloroalkene - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Vinyl halide - Haloalkene - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).
External Descriptors
Not available