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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:dihydroergotamine
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Accession:CHEBI:4562 term browser browse the term
Definition:Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.
Synonyms:exact_synonym: (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
 related_synonym: 5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman;   9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione;   9,10-dihydroergotamine;   Formula=C33H37N5O5;   InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1;   InChIKey=LUZRJRNZXALNLM-JGRZULCMSA-N;   SMILES=[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O;   dihidroergotamina;   dihydroergotaminum
 alt_id: CHEBI:4826;   CHEBI:658566
 xref: Beilstein:78887;   CAS:511-12-6;   DrugBank:DB00320;   Drug_Central:888;   KEGG:C07798;   KEGG:D07837;   KNApSAcK:C00001724;   LINCS:LSM-3619
 xref_mesh: MESH:D004087
 xref: PMID:10954953;   PMID:20132337;   PMID:8145914;   Wikipedia:Dihydroergotamine



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dihydroergotamine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO Dihydroergotamine results in decreased activity of ABCB11 protein CTD PMID:28437613 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730
JBrowse link
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO Dihydroergotamine 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
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions
increases activity
decreases activity
ISO
EXP
Dihydroergotamine inhibits the reaction [Tetrachlorodibenzodioxin results in increased activity of CYP1A1 protein]
Dihydroergotamine results in increased activity of CYP1A1 protein
Dihydroergotamine results in decreased activity of CYP1A1 protein
CTD PMID:18420780 PMID:18493746 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
JBrowse link
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 decreases activity ISO Dihydroergotamine results in decreased activity of CYP1B1 protein CTD PMID:18420780 NCBI chr 6:15,342,312...15,350,886
Ensembl chr 6:15,342,344...15,350,917
JBrowse link
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 decreases activity ISO Dihydroergotamine results in decreased activity of CYP2B10 protein CTD PMID:18420780 NCBI chr 1:81,518,387...81,544,999
Ensembl chr 1:81,518,408...81,542,052
JBrowse link
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 decreases activity ISO Dihydroergotamine results in decreased activity of CYP2C29 protein CTD PMID:18420780
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 decreases activity ISO Dihydroergotamine results in decreased activity of CYP2D6 protein
Dihydroergotamine results in decreased activity of CYP2D22 protein
CTD PMID:18420780 NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 decreases activity ISO Dihydroergotamine results in decreased activity of CYP3A4 protein CTD PMID:18420780 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Htr5b 5-hydroxytryptamine (serotonin) receptor 5B multiple interactions EXP dihydroergotamine binds to protein 5-Htr5b; inhibits the reaction[5-carboxamidotryptamine binds to 5-Htr5b] RGD PMID:8224165 RGD:2303647 NCBI chr13:32,686,911...32,699,835
Ensembl chr13:32,687,042...32,699,835
JBrowse link
G Il24 interleukin 24 increases expression ISO Dihydroergotamine results in increased expression of IL24 mRNA CTD PMID:32816093 NCBI chr13:42,353,089...42,358,487
Ensembl chr13:42,353,090...42,358,487
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 increases activity ISO Dihydroergotamine results in increased activity of NR1I2 protein CTD PMID:25455453 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        pharmacological role 18837
          analgesic 13308
            non-narcotic analgesic 12022
              dihydroergotamine 11
                dihydroergotamine mesylate 0
                dihydroergotamine tartrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              cyclic organic group 1855
                                organic heterobicyclic ring 1855
                                  indole skeleton 1855
                                    indole alkaloid 1855
                                      terpenoid indole alkaloid 1475
                                        hemiterpenoid indole alkaloid 27
                                          ergot alkaloid 27
                                            dihydroergotamine 11
                                              dihydroergotamine mesylate 0
                                              dihydroergotamine tartrate 0
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