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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:raloxifene
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Accession:CHEBI:8772 term browser browse the term
Definition:A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.
Synonyms:exact_synonym: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
 related_synonym: (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone;   Formula=C28H27NO4S;   InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2;   InChIKey=GZUITABIAKMVPG-UHFFFAOYSA-N;   LY 139481;   SMILES=S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5;   raloxifeno;   raloxifenum
 alt_id: CHEBI:45355
 xref: Beilstein:4890356;   CAS:84449-90-1;   DrugBank:DB00481;   Drug_Central:2351;   KEGG:C07228;   KEGG:D08465;   LINCS:LSM-3425
 xref_mesh: MESH:D020849
 xref: PDBeChem:RAL;   Patent:EP62503;   Patent:US4418068;   Wikipedia:Raloxifene
 cyclic_relationship: is_conjugate_base_of CHEBI:90191

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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            bone density conservation agent 0
              raloxifene 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        tertiary amino compound 0
                                          N-oxyethylpiperidine 0
                                            raloxifene 0
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