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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:levobunolol
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Accession:CHEBI:6438 term browser browse the term
Definition:A cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(tert-butylamino)-2-hydroxypropoxy group (the S-enantiomer). A non-selective beta-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma.
Synonyms:exact_synonym: 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one
 related_synonym: (-)-Bunolol;   (S)-5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone;   Formula=C17H25NO3;   InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1;   InChIKey=IXHBTMCLRNMKHZ-LBPRGKRZSA-N;   SMILES=CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12;   levobunololum
 xref: Beilstein:6484587;   CAS:47141-42-4;   DrugBank:DB01210;   Drug_Central:431;   HMDB:HMDB0015341;   KEGG:C07914;   KEGG:D08115;   LINCS:LSM-6578
 xref_mesh: MESH:D002040
 xref: PMID:19626454;   PMID:20960417;   PMID:21368570;   PMID:23390358;   PMID:2873545;   PMID:2881799;   PMID:3019819;   PMID:3050679;   PMID:3058836;   PMID:3062528;   PMID:3067745;   PMID:3513594;   PMID:3881032;   PMID:3912600;   Patent:US2011263638;   Patent:US2011275617;   Patent:WO2008002929;   Patent:WO2011140194;   Reaxys:6484587;   Wikipedia:Levobunolol
 cyclic_relationship: is_conjugate_acid_of CHEBI:72567



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levobunolol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G RT1-DMb RT1 class II, locus DMb affects expression ISO Levobunolol affects the expression of HLA-DMB mRNA CTD PMID:25811541 NCBI chr20:4,693,102...4,700,340
Ensembl chr20:4,693,103...4,700,340
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      chemical role 19320
        environmental contaminant 18628
          naphthalene 2362
            tetralin 149
              levobunolol 1
                dihydrolevobunolol 0
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
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            organic hydride 18348
                              organic fundamental parent 18348
                                hydrocarbon 18059
                                  cyclic hydrocarbon 17069
                                    arene 17065
                                      polycyclic arene 16885
                                        ortho-fused polycyclic arene 9664
                                          ortho-fused bicyclic arene 2417
                                            naphthalene 2362
                                              tetralin 149
                                                levobunolol 1
                                                  dihydrolevobunolol 0
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