CHEBI:145874 - deoxyherqueinone(1−)

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ChEBI Name deoxyherqueinone(1−)
ChEBI ID CHEBI:145874
ChEBI ASCII Name deoxyherqueinone(1-)
Definition A phenolate anion obtained by deprotonation of the 4-hydroxy group of deoxyherqueinone. It is the major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H19O6
Net Charge -1
Average Mass 355.367
Monoisotopic Mass 355.11871
InChI InChI=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
InChIKey VZWSSCQUCMSKLE-MRVPVSSYSA-M
SMILES C12=C3C(=C(C4=C1O[C@@H](C4(C)C)C)O)C(C(=C(C3=C(C=C2C)O)[O-])OC)=O
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Synonym Source
deoxyherqueinone UniProt
Citation Waiting for Citations Type Source
28240554 PubMed citation SUBMITTER
Last Modified
24 January 2020