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CHEBI:156362 - 3,7-dihydroxytropolone

ChEBI IDCHEBI:156362
ChEBI Name3,7-dihydroxytropolone
Stars
DefinitionA cyclic ketone that is tropolone in which the hydrogens at positions 3 and 7 are substituted by hydroxy groups. It is isolated from the soil bacterium Streptomyces tropolofaciens strain K611-97.
Last Modified27 May 2024
SubmitterMartin Larralde
DownloadsMolfile
FormulaC7H6O4
Net Charge0
Average Mass154.121
Monoisotopic Mass154.02661
SMILESO=c1c(O)cccc(O)c1O
InChIInChI=1S/C7H6O4/c8-4-2-1-3-5(9)7(11)6(4)10/h1-3H,(H3,8,9,10,11)
InChIKeyHQLHJCFATKAUSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2925523) Strain: K611-97
Streptomyces tropolofaciens (ncbitaxon:1883) cell suspension culture (BTO:0000221) PubMed (3417559) Strain: K611-97
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
3,7-dihydroxytropolone (CHEBI:156362) has functional parent tropolone (CHEBI:79966)
3,7-dihydroxytropolone (CHEBI:156362) has role antineoplastic agent (CHEBI:35610)
3,7-dihydroxytropolone (CHEBI:156362) has role bacterial metabolite (CHEBI:76969)
3,7-dihydroxytropolone (CHEBI:156362) is a cyclic ketone (CHEBI:3992)
3,7-dihydroxytropolone (CHEBI:156362) is a enol (CHEBI:33823)
3,7-dihydroxytropolone (CHEBI:156362) is a triol (CHEBI:27136)
3,7-dihydroxytropolone (CHEBI:156362) is a α-hydroxy ketone (CHEBI:139588)
IUPAC Name 
2,3,7-trihydroxycyclohepta-2,4,6-trien-1-one
Synonyms  Source
BMY-28438ChemIDplus
2,3,7-trihydroxy-2,4,6-cycloheptatrien-1-oneChEBI
UniProt Name  Source
3,7-dihydroxytropoloneUniProt
Manual XrefsDatabases
US4833079Patent
US4883758Patent
Registry NumbersSources
CAS:85233-29-0ChemIDplus
Citations