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CHEBI:145874 - deoxyherqueinone(1−)

ChEBI IDCHEBI:145874
ChEBI Namedeoxyherqueinone(1−)
Stars
ASCII Namedeoxyherqueinone(1-)
DefinitionA phenolate anion obtained by deprotonation of the 4-hydroxy group of deoxyherqueinone. It is the major microspecies at pH 7.3.
Last Modified24 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H19O6
Net Charge-1
Average Mass355.366
Monoisotopic Mass355.11871
SMILESCOC1=C([O-])c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4
InChIInChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)18-14(20(3,4)8(2)26-18)15(22)13(12)17(24)19(25-5)16(11)23/h6,8,21-23H,1-5H3/p-1/t8-/m1/s1
InChIKeyVZWSSCQUCMSKLE-MRVPVSSYSA-M
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
deoxyherqueinone(1−) (CHEBI:145874) has role antibacterial agent (CHEBI:33282)
deoxyherqueinone(1−) (CHEBI:145874) has role fungal metabolite (CHEBI:76946)
deoxyherqueinone(1−) (CHEBI:145874) is a phenolate anion (CHEBI:50525)
deoxyherqueinone(1−) (CHEBI:145874) is conjugate base of deoxyherqueinone (CHEBI:145901)
Incoming Relation(s)
deoxyherqueinone (CHEBI:145901) is conjugate acid of deoxyherqueinone(1−) (CHEBI:145874)
IUPAC Name 
(9R)-3,7-dihydroxy-5-methoxy-1,8,8,9-tetramethyl-6-oxo-8,9-dihydro-6H-phenaleno[1,2-b]furan-4-olate
UniProt Name  Source
deoxyherqueinoneUniProt
Citations