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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:neobavaisoflavone
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Accession:CHEBI:66614 term browser browse the term
Definition:A 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.
Synonyms:exact_synonym: 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
 related_synonym: 7,4'-dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone;   7,4'-dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone;   7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one;   Formula=C20H18O4;   InChI=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;   InChIKey=OBGPEBYHGIUFBN-UHFFFAOYSA-N;   SMILES=CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
 xref: LIPID_MAPS_instance:LMPK12050027
 xref_mesh: MESH:C549830
 xref: PMID:22397994;   PMID:23323951;   PMID:8759164;   PMID:9544566;   Reaxys:4518386



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neobavaisoflavone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ces1d carboxylesterase 1D decreases activity ISO neobavaisoflavone results in decreased activity of CES1 protein CTD PMID:26560012 NCBI chr19:13,873,490...13,912,035
Ensembl chr19:13,796,623...13,912,035
JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 multiple interactions
decreases activity
EXP neobavaisoflavone inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]
neobavaisoflavone results in decreased activity of CYP2E1 protein
CTD PMID:31870919 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression EXP neobavaisoflavone results in increased expression of CYP3A4 mRNA CTD PMID:31870919 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20059
    role 20009
      application 19747
        pharmaceutical 19619
          drug 19619
            antineoplastic agent 17484
              neobavaisoflavone 3
                2'-hydroxyneobavaisoflavanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic group 18943
                              organic divalent group 18928
                                organodiyl group 18928
                                  carbonyl group 18877
                                    carbonyl compound 18877
                                      ketone 17090
                                        cyclic ketone 15643
                                          isoflavones 3760
                                            hydroxyisoflavone 3694
                                              7-hydroxyisoflavones 3672
                                                neobavaisoflavone 3
                                                  2'-hydroxyneobavaisoflavanone 0
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