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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:1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
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Accession:CHEBI:132234 term browser browse the term
Definition:A secondary amino compound that is N-ethylisopropylamine in which a hydrogen of one of the isopropyl methyl groups has been replaced by a 3,4-methylenedioxyphenyl group.
Synonyms:related_synonym: Formula=C12H17NO2;   InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3;   InChIKey=PVXVWWANJIWJOO-UHFFFAOYSA-N;   SMILES=C(C1=CC2=C(C=C1)OCO2)C(NCC)C


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rac-3,4-methylenedioxy-N-ethylamphetamine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A decreases activity ISO 3,4-methylenedioxyethamphetamine results in decreased activity of ABCB1 protein CTD PMID:14690877 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Comt catechol-O-methyltransferase increases methylation
multiple interactions		 ISO COMT protein alternative form results in increased methylation of 3,4-methylenedioxyethamphetamine
3,4-methylenedioxyethamphetamine inhibits the reaction [COMT protein results in increased methylation of Dopamine]		 CTD PMID:19462939 NCBI chr11:82,568,052...82,587,642
Ensembl chr11:82,568,025...82,587,642 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        NMR chemical shift reference compound 18065
          ammonia 17865
            organic amino compound 17865
              secondary amino compound 6953
                1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine 2
                  (R)-3,4-methylenedioxy-N-ethylamphetamine + 2
                  (S)-3,4-methylenedioxy-N-ethylamphetamine + 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    main group molecular entity 19811
                      s-block molecular entity 19647
                        hydrogen molecular entity 19628
                          hydrides 19139
                            inorganic hydride 18156
                              pnictogen hydride 18146
                                nitrogen hydride 18059
                                  azane 17866
                                    ammonia 17865
                                      organic amino compound 17865
                                        secondary amino compound 6953
                                          1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine 2
                                            (R)-3,4-methylenedioxy-N-ethylamphetamine + 2
                                            (S)-3,4-methylenedioxy-N-ethylamphetamine + 2
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