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CHEBI:142840 - deoxyaureothin

ChEBI IDCHEBI:142840
ChEBI Namedeoxyaureothin
Stars
DefinitionA 4-pyranone that is 2-methoxy-3,5-dimethyl-4H-pyran-4-one which is substituted at position 6 by a 2,4-dimethyl-1-(p-nitrophenyl)hexa-1,3-dien-6-yl group (the E,E isomer).
Last Modified18 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H25NO5
Net Charge0
Average Mass383.444
Monoisotopic Mass383.17327
SMILESCOc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C
InChIInChI=1S/C22H25NO5/c1-14(6-11-20-16(3)21(24)17(4)22(27-5)28-20)12-15(2)13-18-7-9-19(10-8-18)23(25)26/h7-10,12-13H,6,11H2,1-5H3/b14-12+,15-13+
InChIKeyQJCZWAGFDPHLHZ-QUMQEAAQSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
deoxyaureothin (CHEBI:142840) has role bacterial metabolite (CHEBI:76969)
deoxyaureothin (CHEBI:142840) is a C-nitro compound (CHEBI:35716)
deoxyaureothin (CHEBI:142840) is a 4-pyranones (CHEBI:131906)
deoxyaureothin (CHEBI:142840) is a ketene acetal (CHEBI:145408)
deoxyaureothin (CHEBI:142840) is a olefinic compound (CHEBI:78840)
deoxyaureothin (CHEBI:142840) is a polyketide (CHEBI:26188)
Incoming Relation(s)
aureothin (CHEBI:80024) has functional parent deoxyaureothin (CHEBI:142840)
IUPAC Name 
2-[(3E,5E)-3,5-dimethyl-6-(4-nitrophenyl)hexa-3,5-dien-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one
Synonym  Source
luteothinKEGG COMPOUND
UniProt Name  Source
luteothinUniProt
Manual XrefsDatabases
CPD-21800MetaCyc
C22079KEGG COMPOUND
Citations