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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:(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin
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Accession:CHEBI:64117 term browser browse the term
Definition:A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively).
Synonyms:exact_synonym: (1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
 related_synonym: 5-Methoxy-1-methyl-2-(n-propylamino)tetralin;   AJ 76;   Formula=C15H23NO;   InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1;   InChIKey=YGHLYBIUVOLKCV-SMDDNHRTSA-N;   SMILES=CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C;   cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralin
 xref: CAS:85379-09-5;   LINCS:LSM-25635
 xref_mesh: MESH:C051171
 xref: PMID:1589564;   PMID:1686769;   PMID:1867840;   PMID:2073922;   PMID:2397740;   PMID:2615920;   PMID:2880302;   PMID:3133239;   PMID:3562484;   PMID:3792447;   PMID:8103459;   PMID:8374772;   PMID:8739839;   PMID:9765337;   PMID:9928899;   Reaxys:4745495
 cyclic_relationship: is_conjugate_base_of CHEBI:64118



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(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd2 dopamine receptor D2 multiple interactions ISO 5-methoxy-1-methyl-2-(n-propylamino)tetralin binds to and results in decreased activity of DRD2 protein CTD PMID:10728880 NCBI chr 8:49,708,903...49,772,888
Ensembl chr 8:49,708,927...49,772,875
JBrowse link
G Drd3 dopamine receptor D3 multiple interactions ISO 5-methoxy-1-methyl-2-(n-propylamino)tetralin binds to and results in decreased activity of DRD3 protein CTD PMID:10728880 NCBI chr11:56,879,689...56,931,901
Ensembl chr11:56,879,689...56,940,596
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19715
    role 19690
      chemical role 19330
        environmental contaminant 18733
          naphthalene 2359
            tetralin 148
              (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19715
    subatomic particle 19713
      composite particle 19713
        hadron 19713
          baryon 19713
            nucleon 19713
              atomic nucleus 19713
                atom 19713
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19511
                        hydrogen molecular entity 19504
                          hydrides 18967
                            organic hydride 18581
                              organic fundamental parent 18581
                                hydrocarbon 18346
                                  cyclic hydrocarbon 17185
                                    arene 17165
                                      polycyclic arene 16993
                                        ortho-fused polycyclic arene 9731
                                          ortho-fused bicyclic arene 2415
                                            naphthalene 2359
                                              tetralin 148
                                                (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
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