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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 19812
    role 19761
      application 19471
        refrigerant 17691
          ammonia 17278
            organic amino compound 17278
              amino alcohol 1035
                (+)-butaclamol 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    main group molecular entity 19708
                      s-block molecular entity 19493
                        hydrogen molecular entity 19488
                          hydrides 18845
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        tertiary amino compound 8677
                                          (+)-butaclamol 4
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