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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 1:85,720,812...85,749,079
Ensembl chr 1:85,720,812...85,749,078
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G Synpo synaptopodin increases expression ISO BD4 increases expression of Synpo mRNA in podocytes RGD PMID:22125642 RGD:40902998 NCBI chr18:54,048,299...54,106,388
Ensembl chr18:54,026,152...54,102,126
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        pharmacological role 18837
          agonist 18260
            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 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  oxacycle 17609
                                    benzopyran 11162
                                      1-benzopyran 10903
                                        chromenes 3026
                                          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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