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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 19821
    role 19769
      biological role 19769
        antimicrobial agent 17408
          antifungal agent 15099
            botanical anti-fungal agent 280
              alpha-santonin 2
                1,2-dihydro-alpha-santonin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic ester 15884
                                        lactone 11242
                                          terpene lactone 1785
                                            sesquiterpene lactone 1632
                                              santonin 2
                                                alpha-santonin 2
                                                  1,2-dihydro-alpha-santonin 0
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