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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 chr20:3,945,383...3,952,838
Ensembl chr20:5,227,045...5,234,290
Ensembl chr20:5,227,045...5,234,290
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Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19773
    role 19723
      chemical role 19262
        environmental contaminant 18599
          naphthalene 2354
            tetralin 148
              levobunolol 1
                dihydrolevobunolol 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
                    main group molecular entity 19665
                      s-block molecular entity 19430
                        hydrogen molecular entity 19424
                          hydrides 18758
                            organic hydride 18356
                              organic fundamental parent 18356
                                hydrocarbon 18076
                                  cyclic hydrocarbon 17091
                                    arene 17087
                                      polycyclic arene 16909
                                        ortho-fused polycyclic arene 9668
                                          ortho-fused bicyclic arene 2408
                                            naphthalene 2354
                                              tetralin 148
                                                levobunolol 1
                                                  dihydrolevobunolol 0
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