Terminology Service for NFDI4Health
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deoxyaureothin

Go to external page http://purl.obolibrary.org/obo/CHEBI_142840

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).

Term info

Label

deoxyaureothin

Synonyms
  • 2-[(3E,5E)-3,5-dimethyl-6-(4-nitrophenyl)hexa-3,5-dien-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one
database cross reference
Subsets

3_STAR

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 [ IUPAC ]

charge

0

formula

C22H25NO5

has obo namespace

chebi_ontology

id

CHEBI:142840

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

mass

383.444

monoisotopicmass

383.17327

smiles

C1=CC(=CC=C1/C=C(/C=C(/CCC2=C(C(C(=C(O2)OC)C)=O)C)\C)\C)[N+]([O-])=O