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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:(+)-butaclamol
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Accession:CHEBI:73298 term browser browse the term
Definition:An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups.
Synonyms:exact_synonym: (3R,4aR,13bR)-3-tert-butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
 related_synonym: Formula=C25H31NO;   InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1;   InChIKey=ZZJYIKPMDIWRSN-TZBSWOFLSA-N;   SMILES=[H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C;   d-Butaclamol
 xref: CAS:56245-67-1
 xref_mesh: MESH:D002069
 xref: PMID:22588261;   PMID:23035552;   PMID:23597562;   PMID:2418852;   PMID:436760;   PMID:6167812;   Patent:US2012035203;   Patent:WO2010129273;   Reaxys:5767449;   Wikipedia:Butaclamol



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(+)-butaclamol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd2 dopamine receptor D2 affects binding EXP Butaclamol binds to DRD2 protein CTD PMID:18457824 NCBI chr 8:49,708,903...49,772,888
Ensembl chr 8:49,708,927...49,772,875
JBrowse link
G Drd3 dopamine receptor D3 multiple interactions ISO Butaclamol inhibits the reaction [Dopamine results in increased activity of DRD3 protein] CTD PMID:31323226 NCBI chr11:56,879,689...56,931,901
Ensembl chr11:56,879,689...56,940,596
JBrowse link
G Drd4 dopamine receptor D4 affects binding EXP Butaclamol binds to Drd4 protein RGD PMID:8078498 RGD:7248459 NCBI chr 1:196,396,366...196,400,824
Ensembl chr 1:196,396,366...196,399,553
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Butaclamol results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      application 19745
        refrigerant 18065
          ammonia 17502
            organic amino compound 17502
              amino alcohol 1033
                (+)-butaclamol 4
Path 2
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  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19752
                        hydrogen molecular entity 19745
                          hydrides 19114
                            inorganic hydride 17882
                              pnictogen hydride 17865
                                nitrogen hydride 17754
                                  azane 17503
                                    ammonia 17502
                                      organic amino compound 17502
                                        tertiary amino compound 8848
                                          (+)-butaclamol 4
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