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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 20059
    role 20009
      application 19747
        pharmaceutical 19619
          drug 19619
            estrogen receptor antagonist 3461
              (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol 0
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  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic molecule 19819
                              organic cyclic compound 19581
                                organic polycyclic compound 16968
                                  organic tetracyclic compound 279
                                    carbotetracyclic compound 9
                                      (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol 0
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