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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:(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol
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Accession:CHEBI:42371 term browser browse the term
Definition:A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors.
Synonyms:exact_synonym: (5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
 related_synonym: (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol;   (R,R)-cis-diethyl tetrahydro-2,8-chrysenediol;   (R,R)-cis-diethyltetrahydro-2,8-chrysenediol;   Formula=C22H24O2;   InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1;   InChIKey=MASYAWHPJCQLSW-ZIAGYGMSSA-N;   R,R-THC;   SMILES=CC[C@@H]1CC2=C(C=CC(O)=C2)C2=C1C1=C(C[C@H]2CC)C=C(O)C=C1
 xref: CAS:221368-54-3;   Chemspider:394097;   PDBeChem:ETC;   PMID:11953755;   PMID:15582497;   PMID:18719660;   PMID:19505948;   PMID:20097735;   PMID:21940647;   PMID:22099601;   PMID:23688559;   PMID:23857051;   PMID:24134630;   PMID:25167991;   PMID:26855429;   Wikipedia:(R\,R)-Tetrahydrochrysene


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  CHEBI ontology 19808
    role 19784
      application 19627
        pharmaceutical 19468
          drug 19468
            estrogen receptor antagonist 6136
              (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol 0
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  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic polycyclic compound 17225
                                  organic tetracyclic compound 299
                                    carbotetracyclic compound 9
                                      (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol 0
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