CHEBI:8602 - pseudobaptigenin

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ChEBI Name pseudobaptigenin
ChEBI ID CHEBI:8602
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H10O5
Net Charge 0
Average Mass 282.24760
Monoisotopic Mass 282.053
InChI InChI=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
InChIKey KNJNBKINYHZUGC-UHFFFAOYSA-N
SMILES Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
Roles Classification
Biological Role(s): 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(s): antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one ChEBI
7-hydroxy-3',4'-(methylenedioxy)isoflavone ChEBI
pseudobaptisin aglycone ChEBI
ψ-baptigenin ChemIDplus
Database Links Databases
C00002565 KNApSAcK
C10522 KEGG COMPOUND
CPD-3628 MetaCyc
HMDB36616 HMDB
LMPK12050053 LIPID MAPS
Pseudobaptigenin Wikipedia
WO9949862 Patent
View more database links
Registry Numbers Types Sources
290453 Reaxys Registry Number Reaxys
90-29-9 CAS Registry Number KEGG COMPOUND
90-29-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15283457 PubMed citation CiteXplore
16413562 PubMed citation CiteXplore
23265844 PubMed citation CiteXplore
290566 Chinese Abstracts citation CiteXplore
Last Modified
22 June 2015