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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 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 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 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19762
    role 19708
      application 19396
        pharmaceutical 19294
          drug 19294
            antineoplastic agent 17296
              neobavaisoflavone 3
                2'-hydroxyneobavaisoflavanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18611
                              organic divalent group 18602
                                organodiyl group 18602
                                  carbonyl group 18519
                                    carbonyl compound 18519
                                      ketone 16858
                                        cyclic ketone 15234
                                          isoflavones 3742
                                            hydroxyisoflavone 3675
                                              7-hydroxyisoflavones 3654
                                                neobavaisoflavone 3
                                                  2'-hydroxyneobavaisoflavanone 0
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