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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:N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol
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Accession:CHEBI:63988 term browser browse the term
Definition:A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.
Synonyms:exact_synonym: 1-phenyl-3-prop-2-en-1-yl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
 related_synonym: 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine;   3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;   Formula=C19H21NO2;   InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2;   InChIKey=QBUVZVXIRYFENV-UHFFFAOYSA-N;   N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;   SK&F 77434;   SKF 77434;   SMILES=Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
 xref: CAS:104422-04-0;   LINCS:LSM-1702
 xref_mesh: MESH:C067114
 xref: Reaxys:1546935;   Wikipedia:SKF-77434
 cyclic_relationship: is_conjugate_acid_of CHEBI:63987


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N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd1 dopamine receptor D1 multiple interactions ISO SK&F 77434 binds to and results in increased activity of DRD1 protein CTD PMID:15985612 NCBI chr17:10,540,440...10,544,971
Ensembl chr17:10,540,558...10,545,002 		JBrowse link
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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        NMR chemical shift reference compound 17938
          ammonia 17797
            organic amino compound 17797
              tertiary amino compound 10131
                N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 1
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Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            inorganic hydride 18093
                              pnictogen hydride 18082
                                nitrogen hydride 17989
                                  azane 17798
                                    ammonia 17797
                                      organic amino compound 17797
                                        tertiary amino compound 10131
                                          N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 1
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