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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:picrotoxinin
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Accession:CHEBI:8206 term browser browse the term
Definition:A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin.
Synonyms:exact_synonym: (1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione
 related_synonym: Formula=C15H16O6;   InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1;   InChIKey=PIMZUZSSNYHVCU-YKWPQBAZSA-N;   SMILES=[C@]123[C@]4([C@@]([C@@H]5[C@H](C(C)=C)[C@H]([C@]4(OC1=O)[H])OC5=O)(O)C[C@]2(O3)[H])C;   picrotoxinine
 xref: CAS:17617-45-7;   KEGG:C09529;   KNApSAcK:C00003350;   LIPID_MAPS_instance:LMPR0103540001
 xref_mesh: MESH:C022961
 xref: PDBeChem:RI5;   PMID:12770091;   PMID:17405877;   PMID:17675213;   PMID:17714449;   PMID:18031737;   PMID:21505038;   PMID:25238029;   PMID:27423910;   PMID:7916140;   Reaxys:42745


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      biological role 5030
        pharmacological role 622
          antagonist 222
            GABA antagonist 13
              picrotoxinin 0
                picrotin + 0
                picrotoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    main group molecular entity 5025
                      s-block molecular entity 4957
                        hydrogen molecular entity 4950
                          hydrides 4555
                            organic hydride 4399
                              organic fundamental parent 4399
                                hydrocarbon 4359
                                  terpene 4305
                                    terpenoid 4305
                                      sesquiterpenoid 4294
                                        picrotoxane sesquiterpenoid 0
                                          picrotoxinin 0
                                            picrotin + 0
                                            picrotoxin 0
paths to the root