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CHEBI:78327 - pseudobaptigenin(1−)

ChEBI IDCHEBI:78327
ChEBI Namepseudobaptigenin(1−)
Stars
ASCII Namepseudobaptigenin(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of pseudobaptigenin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified19 January 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H9O5
Net Charge-1
Average Mass281.243
Monoisotopic Mass281.04555
SMILESO=c1c(-c2ccc3c(c2)OCO3)coc2cc([O-])ccc12
InChIInChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2/p-1
InChIKeyKNJNBKINYHZUGC-UHFFFAOYSA-M
Roles Classification
Biological Roles:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
ChEBI Ontology
Outgoing Relation(s)
pseudobaptigenin(1−) (CHEBI:78327) has role antiprotozoal drug (CHEBI:35820)
pseudobaptigenin(1−) (CHEBI:78327) has role plant metabolite (CHEBI:76924)
pseudobaptigenin(1−) (CHEBI:78327) is a flavonoid oxoanion (CHEBI:60038)
pseudobaptigenin(1−) (CHEBI:78327) is conjugate base of pseudobaptigenin (CHEBI:8602)
Incoming Relation(s)
pseudobaptigenin (CHEBI:8602) is conjugate acid of pseudobaptigenin(1−) (CHEBI:78327)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-olate
UniProt Name  Source
pseudobaptigeninUniProt