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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 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
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 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
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 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
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 6:2,308,179...2,316,739
Ensembl chr 6:2,307,808...2,316,722
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 7:99,142,431...99,183,540
Ensembl chr 7:99,142,450...99,181,783
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 NCBI chr 1:147,236,480...147,307,988 JBrowse link
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 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
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 chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        pharmacological role 18797
          analgesic 13063
            non-narcotic analgesic 11982
              dihydroergotamine 8
                dihydroergotamine mesylate 0
                dihydroergotamine tartrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              cyclic organic group 1830
                                organic heterobicyclic ring 1830
                                  indole skeleton 1830
                                    indole alkaloid 1830
                                      terpenoid indole alkaloid 1463
                                        hemiterpenoid indole alkaloid 24
                                          ergot alkaloid 24
                                            dihydroergotamine 8
                                              dihydroergotamine mesylate 0
                                              dihydroergotamine tartrate 0
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