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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secondary amino compound that is N-ethylisopropylamine in which a hydrogen of one of the isopropyl methyl groups has been replaced by a 3,4-methylenedioxyphenyl group.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 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
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 chr11:86,715,981...86,735,630
Ensembl chr11:86,715,981...86,735,622
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        refrigerant 17418
          ammonia 16940
            organic amino compound 16939
              secondary amino compound 6516
                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 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        secondary amino compound 6516
                                          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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