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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:butylscopolamine
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Accession:CHEBI:145701 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane.
Synonyms:exact_synonym: (2R,4S,5S,7s)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
 related_synonym: Formula=C21H30NO4;   InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1;   InChIKey=YBCNXCRZPWQOBR-WVHCHWADSA-N;   N-butylscopolamine;   N-butylscopolammonium;   N-butylscopolammonium cation;   N-butylscopolammonium ion;   SMILES=[C@@H]12[C@@H](O1)[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](C4=CC=CC=C4)CO)CCCC;   butilescopolamina;   butylscopolammonium
 xref: CAS:7182-53-8;   DrugBank:DB09300;   Drug_Central:458;   PMID:11189901;   PMID:15586641;   PMID:17039447;   PMID:18049092;   PMID:19468628;   PMID:22467253;   PMID:22925156;   PMID:23869107;   PMID:27033592;   PMID:27557455;   PMID:30076627


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butylscopolamine bromide 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 Butylscopolammonium Bromide inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      molecular entity 19770
        main group molecular entity 19658
          gas molecular entity 17757
            oxirane 9561
              epoxide 9560
                butylscopolamine 1
                  butylscopolamine bromide 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic molecule 19497
                              organic cyclic compound 19321
                                organic heterocyclic compound 18512
                                  organic heteromonocyclic compound 16988
                                    saturated organic heteromonocyclic parent 9581
                                      oxirane 9561
                                        epoxide 9560
                                          butylscopolamine 1
                                            butylscopolamine bromide 1
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