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CHEBI:8602 - pseudobaptigenin

ChEBI IDCHEBI:8602
ChEBI Namepseudobaptigenin
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group.
Last Modified22 June 2015
DownloadsMolfile
FormulaC16H10O5
Net Charge0
Average Mass282.251
Monoisotopic Mass282.05282
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
InChIKeyKNJNBKINYHZUGC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
Application:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
ChEBI Ontology
Outgoing Relation(s)
pseudobaptigenin (CHEBI:8602) has role antiprotozoal drug (CHEBI:35820)
pseudobaptigenin (CHEBI:8602) has role plant metabolite (CHEBI:76924)
pseudobaptigenin (CHEBI:8602) is a 7-hydroxyisoflavones (CHEBI:55465)
pseudobaptigenin (CHEBI:8602) is a benzodioxoles (CHEBI:38298)
pseudobaptigenin (CHEBI:8602) is conjugate acid of pseudobaptigenin(1−) (CHEBI:78327)
Incoming Relation(s)
2',7-dihydroxy-4',5'-methylenedioxyisoflavone (CHEBI:80393) has functional parent pseudobaptigenin (CHEBI:8602)
5-hydroxypseudobaptigenin (CHEBI:61312) has functional parent pseudobaptigenin (CHEBI:8602)
pseudobaptigenin(1−) (CHEBI:78327) is conjugate base of pseudobaptigenin (CHEBI:8602)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one
Synonyms  Source
ψ-baptigeninChemIDplus
7-hydroxy-3',4'-(methylenedioxy)isoflavoneChEBI
pseudobaptisin aglyconeChEBI
3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-oneChEBI
Manual XrefsDatabases
C10522KEGG COMPOUND
CPD-3628MetaCyc
LMPK12050053LIPID MAPS
PseudobaptigeninWikipedia
HMDB0036616HMDB
WO9949862Patent
C00002565KNApSAcK
Registry NumbersSources
Reaxys:290453Reaxys
CAS:90-29-9KEGG COMPOUND
CAS:90-29-9ChemIDplus
Citations