CHEBI:142840 - deoxyaureothin

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ChEBI Name deoxyaureothin
ChEBI ID CHEBI:142840
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C22H25NO5
Net Charge 0
Average Mass 383.444
Monoisotopic Mass 383.17327
InChI InChI=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+
InChIKey QJCZWAGFDPHLHZ-QUMQEAAQSA-N
SMILES C1=CC(=CC=C1/C=C(/C=C(/CCC2=C(C(C(=C(O2)OC)C)=O)C)\C)\C)[N+]([O-])=O
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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ChEBI Ontology
Outgoing deoxyaureothin (CHEBI:142840) has role bacterial metabolite (CHEBI:76969)
deoxyaureothin (CHEBI:142840) is a 4-pyranones (CHEBI:131906)
deoxyaureothin (CHEBI:142840) is a C-nitro compound (CHEBI:35716)
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 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
Synonyms Sources
luteothin KEGG COMPOUND
luteothin UniProt
Manual Xrefs Databases
C22079 KEGG COMPOUND
CPD-21800 MetaCyc
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Citations Waiting for Citations Types Sources
15612710 PubMed citation SUBMITTER
21280577 PubMed citation Europe PMC
27559404 PubMed citation Europe PMC
7763486 PubMed citation SUBMITTER
Last Modified
18 November 2019