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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 chr16:22,358,646...22,395,183
Ensembl chr16:22,361,998...22,395,183
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 NCBI chr 1:280,397,831...280,457,968
Ensembl chr 1:280,423,079...280,457,148
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 chr16:22,358,646...22,395,183
Ensembl chr16:22,361,998...22,395,183
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]
CTD PMID:1438304, PMID:7912402, PMID:15475732, PMID:19616025 NCBI chr 1:280,397,831...280,457,968
Ensembl chr 1:280,423,079...280,457,148
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      application 19385
        refrigerant 17443
          ammonia 16961
            organic amino compound 16960
              tertiary amino compound 8636
                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 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18508
                              organic divalent group 18501
                                organodiyl group 18501
                                  carbonyl group 18404
                                    carbonyl compound 18404
                                      ketone 16152
                                        cyclic ketone 13818
                                          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
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