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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:dothiepin
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Accession:CHEBI:36798 term browser browse the term
Definition:A dibenzothiepine that has formula C19H21NS.
Synonyms:exact_synonym: 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
 related_synonym: 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine;   Formula=C19H21NS;   InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3;   InChIKey=PHTUQLWOUWZIMZ-UHFFFAOYSA-N;   N,N-dimethyldibenzo[b,e]thiepin-Delta(11(6H),gamma)-propylamine;   SMILES=[H]C(CCN(C)C)=C1c2ccccc2CSc2ccccc12;   dosulepin
 xref: Beilstein:1348850;   CAS:113-53-1;   Gmelin:2031643;   LINCS:LSM-3221
 xref_mesh: MESH:D004308


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dothiepin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcc2 ATP binding cassette subfamily C member 2 increases expression ISO Dothiepin results in increased expression of ABCC2 protein CTD PMID:12524417 NCBI chr 1:263,554,426...263,612,556
Ensembl chr 1:263,554,453...263,613,252
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        antimicrobial agent 17312
          antiviral agent 10246
            anticoronaviral agent 8941
              dothiepin 1
                cis-dothiepin + 0
                dothiepin hydrochloride + 0
                trans-dothiepin + 0
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
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organic heteropolycyclic compound 17824
                                    organic heterotricyclic compound 14571
                                      dibenzothiepine 8
                                        dothiepin 1
                                          cis-dothiepin + 0
                                          dothiepin hydrochloride + 0
                                          trans-dothiepin + 0
paths to the root

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