Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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:tropanyl 3,5-dimethylbenzoate
go back to main search page
Accession:CHEBI:64142 term browser browse the term
Definition:A tropane alkaloid that consists of tropine in which the hydrogen of the hydroxy function is substituted by a 3,5-dimethylbenzoyl group.
Synonyms:exact_synonym: (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate
 related_synonym: Formula=C17H23NO2;   InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16+;   InChIKey=HDDNYFLPWFSBLN-ZSHCYNCHSA-N;   MDL 72222;   SMILES=CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(C)cc(C)c1;   Tropyl 3,5-dimethylbenzoate;   tropanserin;   tropanserina;   tropanserine;   tropanserinum
 xref: CAS:85181-40-4;   PMID:1314791;   PMID:15350826;   PMID:17948891;   PMID:18718451;   PMID:19953653;   PMID:2223050;   PMID:2498925;   PMID:3990828;   PMID:6472484;   PMID:8048747;   PMID:8429917;   PMID:9838105;   Reaxys:21043097


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            alkaloid 5372
              tropane alkaloid 1554
                tropanyl 3,5-dimethylbenzoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic acid 18142
                                        aromatic carboxylic acid 10919
                                          benzoic acids 10888
                                            benzoate ester 4325
                                              tropanyl 3,5-dimethylbenzoate 0
paths to the root