<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_64078"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:obo="http://purl.obolibrary.org/obo#"
     xmlns:ns4="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:efo="http://www.ebi.ac.uk/efo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo#has_role -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_51065 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_51065">
        <rdfs:label>dopamine agonist</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_64078 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_64078">
        <rdfs:label>(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://www.ebi.ac.uk/efo/EFO_0004415"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51065"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">365.17577</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">365.901</ns5:mass>
        <oboInOwl:hasExactSynonym>(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>ChemIDplus:145307-34-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:5859104</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride</oboInOwl:hasRelatedSynonym>
        <ns4:IAO_0000115>A hydrochloride salt obtained by mixing equimolar amounts of (1&lt;i&gt;R&lt;/i&gt;,3&lt;i&gt;S&lt;/i&gt;)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D&lt;small&gt;&lt;sub&gt;1&lt;/sub&gt;&lt;/small&gt;-like receptor agonist (pEC50 values are 8.97 and &lt; 5 for D&lt;small&gt;&lt;sub&gt;1&lt;/sub&gt;&lt;/small&gt;-like and D&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.</ns4:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>A77636 hydrochloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Reaxys:5859104</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>A 77636</oboInOwl:hasRelatedSynonym>
        <ns5:inchi_string>InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1</ns5:inchi_string>
        <ns5:generalized_empirical_formula>C20H27NO3.HCl</ns5:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>[(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methanaminium chloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:145307-34-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChEMBL:805869</oboInOwl:hasDbXref>
        <ns5:inchi_key_string>BWHPNJVKFAPVOG-QYFJGNGUSA-N</ns5:inchi_key_string>
        <oboInOwl:hasDbXref>MESH:C079415</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:64078</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>A 77636 hydrochloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>3-(1&#39;-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>A-77636</oboInOwl:hasRelatedSynonym>
        <ns5:smiles_string>Cl.NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O</ns5:smiles_string>
        <oboInOwl:hasRelatedSynonym>A77636</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://www.ebi.ac.uk/efo/EFO_0004415 -->

    <Class rdf:about="http://www.ebi.ac.uk/efo/EFO_0004415">
        <rdfs:label>ionic salt</rdfs:label>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



