CHEBI:3856 - confertin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
C00003237 KNApSAcK
C09378 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1623491 Reaxys Registry Number Reaxys
19908-69-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19960415 PubMed citation Europe PMC
21894898 PubMed citation Europe PMC
8229012 PubMed citation Europe PMC
932363 PubMed citation Europe PMC
Last Modified
28 July 2014