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: (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Accession: CHEBI:92629
browse the term
Definition: An ergoline alkaloid that has formula C21H27N3O2.
Synonyms: related_synonym: Formula=C21H27N3O2; InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1; InChIKey=KPJZHOPZRAFDTN-ZRGWGRIASA-N; SMILES=CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C; deseril; methysergid; methysergide maleate
xref: CAS:361-37-5; Drug_Central:1775; LINCS:LSM-2786
xref_mesh: MESH:D008784
G
Abcb4
ATP binding cassette subfamily B member 4
decreases activity
ISO
Methysergide results in decreased activity of ABCB4 protein
CTD
PMID:28437613
NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202
G
Adra1a
adrenoceptor alpha 1A
multiple interactions
EXP
Methysergide promotes the reaction [Phenylephrine binds to and results in increased activity of ADRA1A protein]
CTD
PMID:16545797
NCBI chr15:40,830,125...40,935,902
Ensembl chr15:40,832,534...40,927,500
G
Calca
calcitonin-related polypeptide alpha
affects activity
EXP
Methysergide affects the activity of CALCA protein
CTD
PMID:10075105
NCBI chr 1:168,878,212...168,883,176
Ensembl chr 1:168,878,214...168,883,105
G
Htr1b
5-hydroxytryptamine receptor 1B
affects binding
EXP
Methysergide binds to HTR1B protein
CTD
PMID:11888550
NCBI chr 8:82,513,572...82,534,670
Ensembl chr 8:82,517,360...82,534,549
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
role
19818
biological role
19785
biochemical role
19496
metabolite
19484
alkaloid
7817
ergoline alkaloid
21
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
4
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
main group molecular entity
19759
p-block molecular entity
19759
carbon group molecular entity
19708
organic molecular entity
19705
heteroorganic entity
19459
organonitrogen compound
18783
alkaloid
7817
ergoline alkaloid
21
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
4