EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167050 - biscognienyne B

ChEBI IDCHEBI:167050
ChEBI Namebiscognienyne B
Stars
DefinitionA member of the class of epoxides that is (1R,6S)-7-oxabicyclo[4.1.0]hept-3-ene substituted by 3-methylbut-2-en-1-yl, hydroxy, 2-methylbut-1-en-3-yn-4-yl, and hydroxy groups at positions 1, 2R, 3 and 5R. It is a meroterpenoid natural product synthesized by the Ascomycota fungus Biscogniauxia sp.
Last Modified27 April 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC16H20O3
Net Charge0
Average Mass260.333
Monoisotopic Mass260.14124
SMILESC=C(C)C#CC1=C[C@@H](O)[C@@H]2O[C@]2(CC=C(C)C)[C@@H]1O
InChIInChI=1S/C16H20O3/c1-10(2)5-6-12-9-13(17)15-16(19-15,14(12)18)8-7-11(3)4/h7,9,13-15,17-18H,1,8H2,2-4H3/t13-,14-,15+,16-/m1/s1
InChIKeyUAAPCPSYCUMTPM-LVQVYYBASA-N
Species of MetaboliteComponentSourceComments
Biscogniauxia sp. (ncbitaxon:1896107) - PubMed (32364293) GenBank: MT109335.1 Strain: 71-10-1-1
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
biscognienyne B (CHEBI:167050) has role fungal metabolite (CHEBI:76946)
biscognienyne B (CHEBI:167050) is a acetylenic compound (CHEBI:73474)
biscognienyne B (CHEBI:167050) is a diol (CHEBI:23824)
biscognienyne B (CHEBI:167050) is a epoxide (CHEBI:32955)
biscognienyne B (CHEBI:167050) is a meroterpenoid (CHEBI:64419)
biscognienyne B (CHEBI:167050) is a olefinic compound (CHEBI:78840)
biscognienyne B (CHEBI:167050) is a secondary alcohol (CHEBI:35681)
biscognienyne B (CHEBI:167050) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
(1R,2R,5R,6S)-1-(3-methylbut-2-en-1-yl)-3-(3-methylbut-3-en-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Citations