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ONTOLOGY REPORT - ANNOTATIONS


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 "Beilstein";   CAS:511-12-6 "ChemIDplus";   CAS:511-12-6 "KEGG COMPOUND";   CAS:511-12-6 "NIST Chemistry WebBook";   DrugBank:DB00320;   Drug_Central:888 "DrugCentral";   KEGG:C07798;   KEGG:D07837;   KNApSAcK:C00001724;   LINCS:LSM-3619
 xref_mesh: MESH:D004087
 xref: PMID:10954953 "Europe PMC";   PMID:20132337 "Europe PMC";   PMID:8145914 "Europe PMC";   Wikipedia:Dihydroergotamine


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dihydroergotamine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb11 ATP binding cassette subfamily B member 11 JBrowse link 3 55,480,024 55,587,946 RGD:6480464
G Abcb4 ATP binding cassette subfamily B member 4 JBrowse link 4 22,133,984 22,192,687 RGD:6480464
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 JBrowse link 6 2,308,179 2,316,739 RGD:6480464
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 JBrowse link 7 99,142,431 99,183,540 RGD:6480464
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 JBrowse link 1 147,236,480 147,307,988 RGD:6480464
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 JBrowse link 7 123,599,264 123,608,436 RGD:6480464
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 JBrowse link 11 65,022,100 65,058,546 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19662
    role 19606
      biological role 19604
        pharmacological role 18687
          analgesic 13050
            non-narcotic analgesic 11959
              dihydroergotamine 8
                dihydroergotamine mesylate 0
                dihydroergotamine tartrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              cyclic organic group 1823
                                organic heterobicyclic ring 1823
                                  indole skeleton 1823
                                    indole alkaloid 1823
                                      terpenoid indole alkaloid 1462
                                        hemiterpenoid indole alkaloid 24
                                          ergot alkaloid 24
                                            dihydroergotamine 8
                                              dihydroergotamine mesylate 0
                                              dihydroergotamine tartrate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.