CHEBI:55349 - deacetyllaurenobiolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name deacetyllaurenobiolide
ChEBI ID CHEBI:55349
Definition A germacranolide derived from laurenobiolide by deacetylation.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C15H20O3
Net Charge 0
Average Mass 248.31750
Monoisotopic Mass 248.14124
InChI InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13?,14?/m0/s1
InChIKey FRDLPOYYWWRSPZ-MCHJIZRYSA-N
SMILES C\C1=C/CC\C(C)=C\[C@H](O)C2C(C1)OC(=O)C2=C
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing deacetyllaurenobiolide (CHEBI:55349) has functional parent laurenobiolide (CHEBI:6390)
deacetyllaurenobiolide (CHEBI:55349) has role allergen (CHEBI:50904)
deacetyllaurenobiolide (CHEBI:55349) has role metabolite (CHEBI:25212)
deacetyllaurenobiolide (CHEBI:55349) is a germacranolide (CHEBI:73011)
IUPAC Name
(4S,5E,9E)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
Synonym Source
deacetyl laurenobiolide ChEBI
Registry Number Type Source
6999911 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15587709 PubMed citation Europe PMC
21678158 PubMed citation Europe PMC
6476889 PubMed citation Europe PMC
Last Modified
24 September 2014