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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:2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Accession:CHEBI:156534 term browser browse the term
Definition:A member of the class of chromenes that is 2H-chromene substituted at positions 2,3,6 and 8 by phenyl, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl, chloro and chloro groups, respectively. It is a potent retinoic acid receptor alpha agonist (Kd = 14nM) designed for the treatment of kidney disease.
Synonyms:exact_synonym: 6,8-dichloro-2-phenyl-3-{(E)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}-2H-chromene
 related_synonym: 6,8-dichloro-2-phenyl-3-{(E)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}-2H-1-benzopyran;   BD-4;   BD4;   BJ-1;   BJ1;   Formula=C29H27BCl2O3;   InChI=1S/C29H27BCl2O3/c1-28(2)29(3,4)35-30(34-28)23-14-11-19(12-15-23)10-13-21-16-22-17-24(31)18-25(32)27(22)33-26(21)20-8-6-5-7-9-20/h5-18,26H,1-4H3/b13-10+;   InChIKey=NLWWGBDFLKSQIM-JLHYYAGUSA-N;   SMILES=CC1(C)OB(OC1(C)C)C1=CC=C(\\C=C\\C2=CC3=CC(Cl)=CC(Cl)=C3OC2C2=CC=CC=C2)C=C1
 xref: PMID:22125642;   Patent:US2019249259


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2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nphs1 NPHS1 adhesion molecule, nephrin increases expression ISO BD4 increases expression of Nphs1 mRNA in podocytes RGD PMID:22125642 RGD:40902998 NCBI chr 1:88,922,346...88,950,560
Ensembl chr 1:88,922,433...88,950,559
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G Synpo synaptopodin increases expression ISO BD4 increases expression of Synpo mRNA in podocytes RGD PMID:22125642 RGD:40902998 NCBI chr18:55,863,081...55,921,412
Ensembl chr18:55,865,467...55,916,220
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        pharmacological role 18870
          agonist 18254
            retinoic acid receptor agonist 7474
              retinoic acid receptor alpha/beta agonist 666
                2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic heterocyclic compound 18511
                                  oxacycle 17301
                                    benzopyran 10163
                                      1-benzopyran 9879
                                        chromenes 932
                                          2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 2
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