Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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:estramustine
go back to main search page
Accession:CHEBI:4868 term browser browse the term
Definition:A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid.
Synonyms:exact_synonym: (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate
 related_synonym: 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate);   Estradiol 3-(N,N-bis(2-chloroethyl)carbamate);   Formula=C23H31Cl2NO3;   InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1;   InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N;   SMILES=[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21;   estramustina;   estramustinum
 xref: Beilstein:5637599;   CAS:2998-57-4;   DrugBank:DB01196;   Drug_Central:1065;   HMDB:HMDB0015327;   KEGG:C11228;   KEGG:D04066;   LIPID_MAPS_instance:LMST02010038
 xref_mesh: MESH:D004961
 xref: PMID:11131983;   PMID:15762353;   PMID:7638085;   Patent:BE646319;   Patent:US3299104;   Reaxys:5637599;   Wikipedia:Estramustine


show annotations for term's descendants           Sort by:
 
estramustine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bcl2 BCL2, apoptosis regulator increases phosphorylation ISO Estramustine results in increased phosphorylation of BCL2 protein CTD PMID:11763419 NCBI chr13:26,605,426...26,769,374
Ensembl chr13:26,605,426...26,769,374
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions ISO Estramustine inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of CYP1A1 mRNA] CTD PMID:11602686 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Krt18 keratin 18 increases expression ISO Estramustine results in increased expression of KRT18 protein CTD PMID:16685278 NCBI chr 7:143,629,455...143,633,131
Ensembl chr 7:143,629,455...143,633,131
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    role 19723
      application 19413
        pharmaceutical 19301
          drug 19301
            antineoplastic agent 17258
              estramustine 3
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic molecule 19505
                              organic cyclic compound 19332
                                organic polycyclic compound 16519
                                  steroid 13054
                                    steroid fundamental parent 12688
                                      estrane 10026
                                        estradiol 9873
                                          17beta-estradiol 9873
                                            estramustine 3
                                              estramustine phosphate 0
paths to the root