<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_8994"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#3"
     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:ns4="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


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

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24852 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24852">
        <rdfs:label>insecticide</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35617 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35617">
        <rdfs:label>flavouring agent</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_38298 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38298">
        <rdfs:label>benzodioxoles</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_76924 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_76924">
        <rdfs:label>plant metabolite</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_8994 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_8994">
        <rdfs:label>safrole</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38298"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24852"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35617"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76924"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasRelatedSynonym>allylcatechol methylene ether</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Wikipedia:Safrole</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5-(2-propenyl)-1,3-benzodioxole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>safrol</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>C=CCc1ccc2OCOc2c1</ns5:smiles>
        <ns5:inchikey>ZMQAAUBTXCXRIC-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:hasDbXref>PMID:21863093</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>shikimol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>HMDB:HMDB0033591</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4-allylpyrocatechol formaldehyde acetal</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>5-allyl-benzo[1,3]dioxole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-allyl-1,2-methylenedioxybenzene</oboInOwl:hasRelatedSynonym>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasDbXref>PMID:21591240</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3,4-(methylenedioxy)allylbenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:15334724</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>KNApSAcK:C00002771</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CAS:94-59-7</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:136380</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:7806308</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:14422</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG:C10490</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:21173435</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:7030889</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>PMID:24150866</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>shikimole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:19656034</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:6191767</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-allyl-3,4-methylenedioxybenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>1,2-methylenedioxy-4-allylbenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>3-(3,4-methylenedioxyphenyl)prop-1-ene</oboInOwl:hasRelatedSynonym>
        <ns5:inchi>InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2</ns5:inchi>
        <oboInOwl:id>CHEBI:8994</oboInOwl:id>
        <ns5:mass>162.18520</ns5:mass>
        <oboInOwl:hasDbXref>PMID:23112005</oboInOwl:hasDbXref>
        <ns5:formula>C10H10O2</ns5:formula>
        <oboInOwl:hasRelatedSynonym>m-allylpyrocatechin methylene ether</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>162.06808</ns5:monoisotopicmass>
        <oboInOwl:hasDbXref>PMID:21089955</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>5-allyl-1,3-benzodioxole</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
</rdf:RDF>



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



