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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 chr12:9,207,978...9,230,064
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 19911
    role 19854
      application 19722
        pharmaceutical 19556
          drug 19556
            antineoplastic agent 17830
              neobavaisoflavone 3
                2'-hydroxyneobavaisoflavanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            organic molecule 19737
                              organic cyclic compound 19526
                                organic heterocyclic compound 18870
                                  oxacycle 17919
                                    benzopyran 11986
                                      1-benzopyran 11740
                                        isoflavonoid 3836
                                          isoflavones 3817
                                            hydroxyisoflavone 3740
                                              7-hydroxyisoflavones 3728
                                                neobavaisoflavone 3
                                                  2'-hydroxyneobavaisoflavanone 0
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