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CHEBI:3856 - confertin

Default Structure
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:
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:
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
C00003237KNApSAcK
C09378KEGG COMPOUND
Registry NumbersSources
Reaxys:1623491Reaxys
CAS:19908-69-1KEGG COMPOUND
CAS:19908-69-1ChemIDplus
Citations