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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:isobavachalcone
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Accession:CHEBI:28106 term browser browse the term
Definition:A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'.
Synonyms:exact_synonym: (2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
 related_synonym: 2',4,4'-trihydroxy-3'-(3-methyl-2-butenyl)chalcone;   Formula=C20H20O4;   InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+;   InChIKey=DUWPGRAKHMEPCM-IZZDOVSWSA-N;   SMILES=CC(C)=CCc1c(O)ccc(C(=O)\\C=C\\c2ccc(O)cc2)c1O
 alt_id: CHEBI:24881;   CHEBI:5984
 xref: CAS:20784-50-3;   KEGG:C08648;   KNApSAcK:C00002381;   LIPID_MAPS_instance:LMPK12120039
 xref_mesh: MESH:C468754
 xref: PMID:17069433;   PMID:20160051;   PMID:20622433;   PMID:22772918;   PMID:23164691;   PMID:8759164;   Reaxys:2004917



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isobavachalcone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ces1d carboxylesterase 1D decreases activity ISO isobavachalcone 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 decreases activity
multiple interactions
EXP isobavachalcone results in decreased activity of CYP2E1 protein
isobavachalcone inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]
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 multiple interactions
decreases activity
EXP isobavachalcone inhibits the reaction [[CYP3A4 protein results in increased metabolism of Testosterone] which results in increased chemical synthesis of 6 beta-hydroxytestosterone]
isobavachalcone results in decreased activity of CYP3A4 protein
CTD PMID:31870919 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage ISO isobavachalcone results in increased cleavage of PARP1 protein CTD PMID:30890322 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        biochemical role 19640
          metabolite 19623
            isobavachalcone 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      ketone 17091
                                        alpha,beta-unsaturated ketone 9960
                                          enone 9960
                                            chalcones 906
                                              chalcone 104
                                                trans-chalcone 104
                                                  isobavachalcone 4
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