confertin (CHEBI:3856)

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ChEBI Name	confertin

ChEBI ID	CHEBI:3856

Definition	A pseudoguaianolide that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by an oxo group at position 5, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:69342

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O3

Net Charge

Average Mass

248.31750

Monoisotopic Mass

248.14124

InChI

InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11-,12+,15-/m0/s1

InChIKey

DCKYPAZZUYXYTC-HBKJAXODSA-N

SMILES

C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O

Metabolite of Species	Details
Inula hupehensis (IPNI:225932-1)	Found in aerial part (BTO:0001658). 95% aqueous EtOH extract of dried and powdered aerial parts See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	confertin (CHEBI:3856) has role anti-inflammatory agent (CHEBI:67079) confertin (CHEBI:3856) has role metabolite (CHEBI:25212) confertin (CHEBI:3856) has role plant metabolite (CHEBI:76924) confertin (CHEBI:3856) is a γ-lactone (CHEBI:37581) confertin (CHEBI:3856) is a cyclic ketone (CHEBI:3992) confertin (CHEBI:3856) is a organic heterotricyclic compound (CHEBI:26979) confertin (CHEBI:3856) is a pseudoguaianolide (CHEBI:76704)

IUPAC Name

(3aR,4aS,7aS,8S,9aR)-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione

Synonyms	Sources
(+)-confertin	ChEBI
(3aR-(3aα,4aβ,7aα,8β,9aα))-4a,8-dimethyl-3-methylene-decahydroazuleno(6,5-b)furan-2,5-dione	ChEBI

Last Modified

28 July 2014