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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 Abcb11 ATP binding cassette subfamily B member 11 multiple interactions ISO Enzymes and Coenzymes inhibits the reaction [isobavachalcone inhibits the reaction [ABCB11 protein results in increased transport of Taurodeoxycholic Acid]]; isobavachalcone inhibits the reaction [ABCB11 protein results in increased transport of Taurodeoxycholic Acid] CTD PMID:35101544 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730 		JBrowse link
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 chr12:9,207,978...9,230,064
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 19917
    role 19887
      biological role 19885
        biochemical role 19569
          metabolite 19577
            isobavachalcone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      carbon group element atom 19774
                        carbon atom 19790
                          organic molecular entity 19790
                            heteroorganic entity 19549
                              organochalcogen compound 19309
                                organooxygen compound 19204
                                  carbonyl compound 18945
                                    ketone 17276
                                      alpha,beta-unsaturated ketone 9985
                                        enone 9985
                                          chalcones 946
                                            chalcone 132
                                              trans-chalcone 132
                                                isobavachalcone 5
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