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CHEBI:64435 - arugosin A (lactol form)

ChEBI IDCHEBI:64435
ChEBI Namearugosin A (lactol form)
Stars
DefinitionA dibenzooxepine that is dibenzo[b,e]oxepin-11(6H)-one which is substituted by hydroxy groups at positions 1, 6, and 10, a 3,3-dimethylallyl group at position 2, a 3,3-dimethylallyloxy group at position 7, and a methyl group at position 8.
Last Modified22 July 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCOc1c(C)cc(O)c2c1C(O)Oc1ccc(CC=C(C)C)c(O)c1C2=O
InChIInChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-18-20(22(16)27)23(28)19-17(26)12-15(5)24(21(19)25(29)31-18)30-11-10-14(3)4/h6,8-10,12,25-27,29H,7,11H2,1-5H3
InChIKeyWFHNNILBVLUOKP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Emericella rugulosa (ncbitaxon:41736) - PubMed (22026385)
Aspergillus (ncbitaxon:5052) - PubMed (22026385)
Aspergillus nidulans (ncbitaxon:162425) - PubMed (22026385)
Roles Classification
Biological Role:
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)
arugosin A (lactol form) (CHEBI:64435) is a arugosin A (CHEBI:64440)
arugosin A (lactol form) (CHEBI:64435) is a cyclic ketone (CHEBI:3992)
arugosin A (lactol form) (CHEBI:64435) is a dibenzooxepine (CHEBI:38926)
arugosin A (lactol form) (CHEBI:64435) is a lactol (CHEBI:38131)
arugosin A (lactol form) (CHEBI:64435) is a polyphenol (CHEBI:26195)
arugosin A (lactol form) (CHEBI:64435) is tautomer of arugosin A (hydroxy-aldehyde form) (CHEBI:64439)
Incoming Relation(s)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is tautomer of arugosin A (lactol form) (CHEBI:64435)
IUPAC Name 
1,6,10-trihydroxy-8-methyl-2-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]dibenzo[b,e]oxepin-11(6H)-one
Synonym  Source
arugosin A (hemiacetal form)ChEBI
Registry NumbersSources
Reaxys:2025563Reaxys
Citations