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CHEBI:90396 - (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one

Default Structure
ChEBI IDCHEBI:90396
ChEBI Name(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
Stars
DefinitionAn aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by chlorines while the third has been replaced by a hexanoyl group. It is the immediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). DIF-1 is released by developing Dictyostelium amoebae, inducing them to differentiate into stalk cells.
Last Modified19 November 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H14Cl2O4
Net Charge0
Average Mass293.146
Monoisotopic Mass292.02691
SMILESCCCCCC(=O)c1c(O)c(Cl)c(O)c(Cl)c1O
InChIInChI=1S/C12H14Cl2O4/c1-2-3-4-5-6(15)7-10(16)8(13)12(18)9(14)11(7)17/h16-18H,2-5H2,1H3
InChIKeyWLWLDMLTAFSEDI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dictyostelium (ncbitaxon:5782) - PubMed (9446571)
Roles Classification
Biological Role:
eukaryotic metabolite  Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms.
ChEBI Ontology
Outgoing Relation(s)
(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396) has role eukaryotic metabolite (CHEBI:75763)
(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396) is a aromatic ketone (CHEBI:76224)
(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396) is a benzenetriol (CHEBI:22707)
(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396) is a dichlorobenzene (CHEBI:23697)
(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396) is conjugate acid of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−) (CHEBI:90398)
Incoming Relation(s)
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (CHEBI:64598) has functional parent (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396)
(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−) (CHEBI:90398) is conjugate base of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:90396)
IUPAC Name 
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
Synonyms  Source
3,5-dichloro-THPHSUBMITTER
Cl2-THPHChEBI
dichloro-THPHChEBI
Registry NumbersSources
Reaxys:10184570Reaxys
CAS:118222-71-2Reaxys
Citations