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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:bufogenin
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Accession:CHEBI:31319 term browser browse the term
Definition:A steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers.
Synonyms:exact_synonym: 3beta-hydroxy-5beta,15beta-14,15-epoxybufa-20,22-dienolide
 related_synonym: Bufogein;   Formula=C24H32O4;   InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17?,18?,19-,20-,22+,23-,24-/m1/s1;   InChIKey=ATLJNLYIJOCWJE-CWMZOUAVSA-N;   SMILES=[C@]12(CC[C@@H](C[C@]2(CC[C@]3([C@]45[C@](CC[C@]13[H])([C@H](C[C@H]4O5)C6=COC(C=C6)=O)C)[H])[H])O)C;   bufogenina;   bufogenine;   bufogeninum;   resibufogenin;   respigon
 xref: CAS:465-39-4;   Drug_Central:3523;   KEGG:C17058;   KEGG:D01378
 xref_mesh: MESH:C005734
 xref: PMID:22814872;   PMID:24911667;   PMID:25420080;   PMID:30029665;   PMID:31178234;   PMID:31292669;   PMID:31342712;   PMID:31737183;   PMID:31961485;   PMID:32006291


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bufogenin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 increases expression
increases metabolic processing
increases activity
multiple interactions
ISO bufogenin results in increased expression of CYP3A4 mRNA
CYP3A4 protein results in increased metabolism of bufogenin
bufogenin results in increased activity of CYP3A4 protein
bufogenin promotes the reaction [CYP3A4 protein results in increased metabolism of Midazolam]; Ketoconazole inhibits the reaction [CYP3A4 protein results in increased metabolism of bufogenin]
CTD PMID:22178124 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19877
    chemical entity 19877
      molecular entity 19874
        main group molecular entity 19765
          gas molecular entity 17645
            oxirane 5783
              epoxide 5781
                epoxy steroid 110
                  bufogenin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19877
    subatomic particle 19875
      composite particle 19875
        hadron 19875
          baryon 19875
            nucleon 19875
              atomic nucleus 19875
                atom 19875
                  main group element atom 19765
                    p-block element atom 19765
                      carbon group element atom 19670
                        carbon atom 19659
                          organic molecular entity 19659
                            organic group 18571
                              organic divalent group 18562
                                organodiyl group 18562
                                  carbonyl group 18471
                                    carbonyl compound 18471
                                      carboxylic ester 14389
                                        lactone 6003
                                          steroid lactone 405
                                            bufanolide 77
                                              bufogenin 1
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