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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 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 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            isobavachalcone 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      ketone 16923
                                        alpha,beta-unsaturated ketone 9266
                                          enone 9266
                                            chalcones 902
                                              chalcone 103
                                                trans-chalcone 103
                                                  isobavachalcone 4
paths to the root