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CHEBI:78857 - 2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione

ChEBI IDCHEBI:78857
ChEBI Name2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
Stars
DefinitionA ketone hydrate that is naphthalene-1,2,3,4-tetrone in which water has been added to the keto groups at positions 2 and 3. It has been used as an antiviral agent in nasal ointment.
Last Modified17 June 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H8O6
Net Charge0
Average Mass224.168
Monoisotopic Mass224.03209
SMILESO=C1c2ccccc2C(=O)C(O)(O)C1(O)O
InChIInChI=1S/C10H8O6/c11-7-5-3-1-2-4-6(5)8(12)10(15,16)9(7,13)14/h1-4,13-16H
InChIKeyCWHBUPIYFIPPRI-UHFFFAOYSA-N
Roles Classification
Biological Roles:
topoisomerase inhibitor  An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA).
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Application:
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione (CHEBI:78857) has functional parent naphthalene-1,2,3,4-tetrone (CHEBI:78854)
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione (CHEBI:78857) has role antibacterial agent (CHEBI:33282)
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione (CHEBI:78857) has role antipsoriatic (CHEBI:50748)
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione (CHEBI:78857) has role topoisomerase inhibitor (CHEBI:70727)
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione (CHEBI:78857) is a ketone hydrate (CHEBI:63734)
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dione (CHEBI:78857) is a tetralins (CHEBI:36786)
Synonyms  Source
2,3-dihydro-2,2,3,3-tetrahydroxy-1,4-naphthoquinoneChEBI
2,2,3,3-tetrahydroxy-2,3-dihydronaphthalene-1,4-dioneChEBI
oxolineChEBI
oxoline dihydrateChEBI
Citations