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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:alpha-santonin
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Accession:CHEBI:16363 term browser browse the term
Definition:A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9.
Synonyms:exact_synonym: (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
 related_synonym: (-)-Santonin;   (11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone;   6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone;   Formula=C15H18O3;   InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1;   InChIKey=XJHDMGJURBVLLE-BOCCBSBMSA-N;   SMILES=[H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C;   Santoninic anhydride
 alt_id: CHEBI:10331;   CHEBI:12342;   CHEBI:22468;   CHEBI:26603
 xref: Beilstein:89489;   CAS:481-06-1;   KEGG:C02206;   KEGG:D00154;   KNApSAcK:C00003364;   LINCS:LSM-6627;   LIPID_MAPS_instance:LMPR0103190001
 xref_mesh: MESH:D012500
 xref: MetaCyc:ALPHA-SANTONIN;   PMID:11098821;   PMID:15241928;   PMID:2185125;   Reaxys:89489;   Wikipedia:Santonin


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alpha-santonin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions
increases activity
ISO [Santonin results in increased activity of NR1I2 protein] which results in increased expression of CYP3A4 mRNA CTD PMID:25455453 NCBI chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        antimicrobial agent 17312
          antifungal agent 14872
            botanical anti-fungal agent 277
              alpha-santonin 1
                1,2-dihydro-alpha-santonin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic ester 14077
                                        lactone 5979
                                          terpene lactone 1770
                                            sesquiterpene lactone 1619
                                              santonin 1
                                                alpha-santonin 1
                                                  1,2-dihydro-alpha-santonin 0
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