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deoxyspectinabilin

Go to external page http://purl.obolibrary.org/obo/CHEBI_142843

A member of the class of 4-pyranones that is 2-methoxy-3,5-dimethylpyran-4-one which is substituted at position 6 by a [(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl] group. The immediate precursor of the Streptomyces spectabilis metabolite spectinabilin.

Term info

Label

deoxyspectinabilin

Synonyms
  • 2-methoxy-3,5-dimethyl-6-[(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl]-4H-pyran-4-one
  • deoxyspectinabilin
database cross reference
Subsets

3_STAR

IUPAC NAME
2-methoxy-3,5-dimethyl-6-[(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl]-4H-pyran-4-one [ IUPAC ]

charge

0

formula

C28H33NO5

has obo namespace

chebi_ontology

id

CHEBI:142843

inchi

InChI=1S/C28H33NO5/c1-18(8-13-26-22(5)27(30)23(6)28(33-7)34-26)14-19(2)15-20(3)16-21(4)17-24-9-11-25(12-10-24)29(31)32/h9-12,14-17H,8,13H2,1-7H3/b18-14+,19-15+,20-16+,21-17+

inchikey

DNKUZPCQKAFHJN-FUPFHJOOSA-N

mass

463.574

monoisotopicmass

463.23587

smiles

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