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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: CAS:47141-42-4;   DrugBank:DB01210;   Drug_Central:431;   HMDB:HMDB0015341;   KEGG:C07914;   KEGG:D08115;   LINCS:LSM-6578
 xref_mesh: MESH:D002040
 xref: PMID:17459374;   PMID:19626454;   PMID:20960417;   PMID:21368570;   PMID:23390358;   PMID:26227808;   PMID:27190057;   PMID:2873545;   PMID:2881799;   PMID:29277497;   PMID:30000211;   PMID:3019819;   PMID:3050679;   PMID:3058836;   PMID:3062528;   PMID:3067745;   PMID:34863129;   PMID:3513594;   PMID:37861808;   PMID:3881032;   PMID:3912600;   Patent:US2011263638;   Patent:US2011275617;   Patent:WO2008002929;   Patent:WO2011140194;   Reaxys:6484587;   Wikipedia:Levobunolol
 cyclic_relationship: is_conjugate_base_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 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      chemical role 19498
        environmental contaminant 18882
          naphthalene 2388
            tetralin 156
              levobunolol 1
                dihydrolevobunolol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            organic hydride 18712
                              organic fundamental parent 18712
                                hydrocarbon 18460
                                  cyclic hydrocarbon 17248
                                    arene 17229
                                      polycyclic arene 17053
                                        ortho-fused polycyclic arene 9850
                                          ortho-fused bicyclic arene 2444
                                            naphthalene 2388
                                              tetralin 156
                                                levobunolol 1
                                                  dihydrolevobunolol 0
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