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CHEBI:3856 - confertin

ChEBI IDCHEBI:3856
ChEBI Nameconfertin
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:69342
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12C[C@H](C)[C@]3([H])CCC(=O)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2
InChIInChI=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
InChIKeyDCKYPAZZUYXYTC-HBKJAXODSA-N
Species of MetaboliteComponentSourceComments
Inula hupehensis (IPNI:225932-1) aerial part (BTO:0001658) PubMed (21894898) 95% aqueous EtOH extract of dried and powdered aerial parts
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
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 cyclic ketone (CHEBI:3992)
confertin (CHEBI:3856) is a organic heterotricyclic compound (CHEBI:26979)
confertin (CHEBI:3856) is a pseudoguaianolide (CHEBI:76704)
confertin (CHEBI:3856) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aR,4aS,7aS,8S,9aR)-4a,8-dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione
Synonyms  Source
(3aR-(3aα,4aβ,7aα,8β,9aα))-4a,8-dimethyl-3-methylene-decahydroazuleno(6,5-b)furan-2,5-dioneChEBI
(+)-confertinChEBI
Manual XrefsDatabases
C09378KEGG COMPOUND
C00003237KNApSAcK
Registry NumbersSources
Reaxys:1623491Reaxys
CAS:19908-69-1KEGG COMPOUND
CAS:19908-69-1ChemIDplus
Citations