Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:41:20 UTC
Update Date2022-08-31 06:43:55 UTC
Metabolite IDMMDBc0018511
Metabolite Identification
Common NameBurkholone
DescriptionBurkholone belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Based on a literature review very few articles have been published on Burkholone.
Structure
Synonyms
ValueSource
3-Methyl-2-(2-octenyl)-4-quinoloneMeSH
Molecular FormulaC18H23NO
Average Mass269.388
Monoisotopic Mass269.177964365
IUPAC Name3-methyl-2-[(2E)-oct-2-en-1-yl]-1,4-dihydroquinolin-4-one
Traditional Name3-methyl-2-[(2E)-oct-2-en-1-yl]-1H-quinolin-4-one
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCC)=C(\[H])CC1=C(C)C(=O)C2=CC=CC=C2N1
InChI Identifier
InChI=1S/C18H23NO/c1-3-4-5-6-7-8-12-16-14(2)18(20)15-11-9-10-13-17(15)19-16/h7-11,13H,3-6,12H2,1-2H3,(H,19,20)/b8-7+
InChI KeyHROARYQHAQCVQN-BQYQJAHWSA-N