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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 EXP 5-methoxy-1-methyl-2-(n-propylamino)tetralin binds to and results in decreased activity of DRD2 protein CTD PMID:10728880 NCBI chr11:113,409,605...113,475,398
Ensembl chr11:113,409,605...113,475,691
JBrowse link
G DRD3 dopamine receptor D3 multiple interactions EXP 5-methoxy-1-methyl-2-(n-propylamino)tetralin binds to and results in decreased activity of DRD3 protein CTD PMID:10728880 NCBI chr 3:114,127,580...114,199,407
Ensembl chr 3:114,127,580...114,199,407
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26040
    role 25956
      chemical role 24245
        environmental contaminant 20881
          naphthalene 2344
            tetralin 158
              (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    main group molecular entity 25840
                      s-block molecular entity 25160
                        hydrogen molecular entity 24759
                          hydrides 22971
                            organic hydride 21922
                              organic fundamental parent 21922
                                hydrocarbon 21342
                                  cyclic hydrocarbon 20001
                                    arene 19981
                                      polycyclic arene 19675
                                        ortho-fused polycyclic arene 10289
                                          ortho-fused bicyclic arene 2401
                                            naphthalene 2344
                                              tetralin 158
                                                (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
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