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CHEBI:176813 - 2,3,4-trihydroxbenzophenone

ChEBI IDCHEBI:176813
ChEBI Name2,3,4-trihydroxbenzophenone
Stars
DefinitionA benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator.
Secondary ChEBI IDCHEBI:180666
Last Modified18 October 2021
SubmitterMetaboLights, Rahi Navelkar
DownloadsMolfile
FormulaC13H10O4
Net Charge0
Average Mass230.219
Monoisotopic Mass230.05791
SMILESO=C(c1ccccc1)c1ccc(O)c(O)c1O
InChIInChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H
InChIKeyHTQNYBBTZSBWKL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
feces (BTO:0000440) MetaboLights (MTBLS2531)
urine (BTO:0001419) PubMed (20625888)
semen (UBERON:0001968) PubMed (20625888)
Rattus norvegicus (ncbitaxon:10116) - PubMed (7902237)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
quorum sensing inhibitor  Any compound that interferes with bacterial communication (quorum sensing, QS).
ChEBI Ontology
Outgoing Relation(s)
2,3,4-trihydroxbenzophenone (CHEBI:176813) has role drug metabolite (CHEBI:49103)
2,3,4-trihydroxbenzophenone (CHEBI:176813) has role EC 1.14.18.1 (tyrosinase) inhibitor (CHEBI:59997)
2,3,4-trihydroxbenzophenone (CHEBI:176813) has role human urinary metabolite (CHEBI:84087)
2,3,4-trihydroxbenzophenone (CHEBI:176813) has role quorum sensing inhibitor (CHEBI:138977)
2,3,4-trihydroxbenzophenone (CHEBI:176813) has role rat metabolite (CHEBI:86264)
2,3,4-trihydroxbenzophenone (CHEBI:176813) is a benzenetriol (CHEBI:22707)
2,3,4-trihydroxbenzophenone (CHEBI:176813) is a hydroxybenzophenone (CHEBI:24677)
IUPAC Name 
phenyl(2,3,4-trihydroxyphenyl)methanone
Synonyms  Source
2,3,4-trihydroxybenzophenoneChemIDplus
Alizarine yellow AChemIDplus
Alizarin yellow AChemIDplus
C.I. 57005ChemIDplus
gallobenzophenoneChemIDplus
2,3,4-trihydroxy-benzophenoneChEBI
Manual XrefsDatabases
CUHPDBeChem
64001ChemSpider
Registry NumbersSources
Reaxys:2697065Reaxys
CAS:1143-72-2ChemIDplus
Citations