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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:4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone
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Accession:CHEBI:94538 term browser browse the term
Definition:An aromatic ketone that has formula C17H25NO4.
Synonyms:related_synonym: Formula=C17H25NO4;   InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3;   InChIKey=OWYLAEYXIQKAOL-UHFFFAOYSA-N;   SMILES=COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC;   buflomedil HCl;   buflomedil hydrochloride
 xref: CAS:55837-25-7;   Drug_Central:422;   LINCS:LSM-5365
 xref_mesh: MESH:C010651



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4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO buflomedil inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
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Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    chemical entity 20049
      group 19976
        inorganic group 19464
          oxo group 18872
            organic oxo compound 18872
              carbonyl compound 18872
                ketone 17097
                  aromatic ketone 12374
                    4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      ketone 17097
                                        aromatic ketone 12374
                                          4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone 1
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