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CHEBI:66614 - neobavaisoflavone

ChEBI IDCHEBI:66614
ChEBI Nameneobavaisoflavone
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4' and a prenyl group at position 3'. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation.
Last Modified7 April 2016
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCC(C)=CCc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O
InChIInChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
InChIKeyOBGPEBYHGIUFBN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Psoralea corylifolia (ncbitaxon:429560) seed (BTO:0001226) PubMed (8759164)
Roles Classification
Biological Roles:
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor  A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
neobavaisoflavone (CHEBI:66614) has role antineoplastic agent (CHEBI:35610)
neobavaisoflavone (CHEBI:66614) has role EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor (CHEBI:131699)
neobavaisoflavone (CHEBI:66614) has role plant metabolite (CHEBI:76924)
neobavaisoflavone (CHEBI:66614) has role platelet aggregation inhibitor (CHEBI:50427)
neobavaisoflavone (CHEBI:66614) is a 7-hydroxyisoflavones (CHEBI:55465)
Incoming Relation(s)
2'-hydroxyneobavaisoflavanone (CHEBI:66048) has functional parent neobavaisoflavone (CHEBI:66614)
IUPAC Name 
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
Synonyms  Source
7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-oneChEBI
7,4'-dihydroxy-3'-(γ,γ-dimethylallyl)isoflavoneChEBI
7,4'-dihydroxy-3'-(3-methyl-buten-2-yl)isoflavoneChEBI
Manual XrefsDatabases
LMPK12050027LIPID MAPS
Registry NumbersSources
Reaxys:4518386Reaxys
Citations