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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 Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions ISO [Santonin results in increased activity of NR1I2 protein] which results in increased expression of CYP3A4 mRNA CTD PMID:25455453 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      biological role 19711
        antimicrobial agent 17880
          antifungal agent 16287
            botanical anti-fungal agent 295
              alpha-santonin 2
                1,2-dihydro-alpha-santonin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18798
                                    carbonyl compound 18798
                                      carboxylic ester 15962
                                        lactone 11411
                                          terpene lactone 2151
                                            sesquiterpene lactone 2010
                                              santonin 2
                                                alpha-santonin 2
                                                  1,2-dihydro-alpha-santonin 0
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