CHEBI:68859 - arugosin B

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ChEBI Name arugosin B ChEBI ID CHEBI:68859 Definition A dibenzooxepine that is dibenzo[b,e]oxepin-11(6H)-one substituted by hydroxy groups at positions 1, 6 and 10, a methyl group at position 8, a prenyl group at position 4 and a prenyloxy group at position 7. Isolated from Aspergillus, it exhibits antibacterial activity. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H28O6 Net Charge 0 Average Mass 424.48620 Monoisotopic Mass 424.18859 InChI InChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-17(26)20-22(28)19-18(27)12-15(5)23(30-11-10-14(3)4)21(19)25(29)31-24(16)20/h6,8-10,12,25-27,29H,7,11H2,1-5H3 InChIKey WKCOWVOAMWLTDQ-UHFFFAOYSA-N SMILES CC(C)=CCOc1c(C)cc(O)c2C(=O)c3c(O)ccc(CC=C(C)C)c3OC(O)c12 Metabolite of Species Details Aspergillus (NCBI:txid5052) See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing arugosin B (CHEBI:68859) has role Aspergillus metabolite (CHEBI:76956) arugosin B (CHEBI:68859) has role antibacterial agent (CHEBI:33282) arugosin B (CHEBI:68859) is a cyclic ketone (CHEBI:3992) arugosin B (CHEBI:68859) is a dibenzooxepine (CHEBI:38926) arugosin B (CHEBI:68859) is a lactol (CHEBI:38131) arugosin B (CHEBI:68859) is a polyphenol (CHEBI:26195) IUPAC Name 1,6,10-trihydroxy-8-methyl-4-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]dibenzo[b,e]oxepin-11(6H)-one Registry Number Type Source 2025561 Reaxys Registry Number Reaxys Citation Type Source 16872131 PubMed citation Europe PMC Last Modified 13 January 2014