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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:9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
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Accession:CHEBI:64028 term browser browse the term
Definition:A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.
Synonyms:exact_synonym: 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
 related_synonym: 1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one;   2-oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine;   2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine;   Formula=C19H27NO3;   InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3;   InChIKey=MKJIEFSOBYUXJB-UHFFFAOYSA-N;   SMILES=COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
 xref: CAS:58-46-8;   KEGG:C11168;   KEGG:D08575;   LINCS:LSM-36891
 xref_mesh: MESH:D013747
 xref: Reaxys:309381


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9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc18a1 solute carrier family 18 member A1 multiple interactions ISO Tetrabenazine inhibits the reaction [SLC18A1 protein results in increased uptake of Serotonin] CTD PMID:8245983 NCBI chr16:20,653,268...20,687,051
Ensembl chr16:20,653,508...20,687,051
JBrowse link
G Slc18a2 solute carrier family 18 member A2 decreases activity
multiple interactions
affects binding
ISO
EXP
Tetrabenazine results in decreased activity of SLC18A2 protein
Tetrabenazine inhibits the reaction [SLC18A2 protein results in increased uptake of Serotonin]
Tetrabenazine binds to SLC18A2 protein
CTD PMID:1438304 PMID:7912402 PMID:15475732 PMID:19616025 PMID:33378168 NCBI chr 1:258,413,748...258,449,143
Ensembl chr 1:258,413,959...258,448,325
JBrowse link
tetrabenazine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc18a1 solute carrier family 18 member A1 multiple interactions ISO Tetrabenazine inhibits the reaction [SLC18A1 protein results in increased uptake of Serotonin] CTD PMID:8245983 NCBI chr16:20,653,268...20,687,051
Ensembl chr16:20,653,508...20,687,051
JBrowse link
G Slc18a2 solute carrier family 18 member A2 affects binding
decreases activity
multiple interactions
ISO
EXP
Tetrabenazine binds to SLC18A2 protein
Tetrabenazine results in decreased activity of SLC18A2 protein
Tetrabenazine inhibits the reaction [SLC18A2 protein results in increased uptake of Serotonin]
Tetrabenazine binds to Slc8a2 protein
CTD PMID:1438304 PMID:7912402 PMID:15475732 PMID:19616025 PMID:33378168 More... RGD:5130957 NCBI chr 1:258,413,748...258,449,143
Ensembl chr 1:258,413,959...258,448,325
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        refrigerant 17694
          ammonia 17278
            organic amino compound 17278
              tertiary amino compound 8679
                9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one 2
                  (3R,11bR)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one + 2
                  (3S,11bS)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one + 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      ketone 16923
                                        cyclic ketone 15391
                                          9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one 2
                                            (3R,11bR)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one + 2
                                            (3S,11bS)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one + 2
paths to the root