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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 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 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
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 chr12:11,641,500...11,677,818
Ensembl chr12:11,655,402...11,733,136
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage ISO isobavachalcone results in increased cleavage of PARP1 protein CTD PMID:30890322 NCBI chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          metabolite 19262
            isobavachalcone 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      ketone 16140
                                        alpha,beta-unsaturated ketone 8519
                                          enone 8519
                                            chalcones 147
                                              chalcone 102
                                                trans-chalcone 102
                                                  isobavachalcone 2
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.