Dihydroergotamine (BioDeep_00000003589)

 

Secondary id: BioDeep_00000398423

human metabolite blood metabolite Chemicals and Drugs


代谢物信息卡片


(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide

化学式: C33H37N5O5 (583.2794552)
中文名称: 双氢麦角胺
谱图信息: 最多检出来源 Homo sapiens(blood) 50%

分子结构信息

SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C
InChI: 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)

描述信息

Dihydroergotamine is only found in individuals that have used or taken this drug. It is a 9,10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. [PubChem]Two theories have been proposed to explain the efficacy of 5-HT1D receptor agonists in migraine: 1) activation of 5-HT1D receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache and 2) activation of 5-HT1D receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
D002491 - Central Nervous System Agents > D000700 - Analgesics

同义名列表

68 个代谢物同义名

(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; 9,10-Dihydro-12-hydroxy-2-methyl-5-(phenylmethyl)ergotoman-3,6,18-trione; 5-Benzyl-12-hydroxy-2-methyl-3,6,18-trioxo-9,10-dihydroergotaman; CT Arzneimittel brand OF dihydroergotamine mesylate; CT-Arzneimittel brand OF dihydroergotamine mesylate; Pierre fabre brand OF dihydroergotamine mesylate; Wernigeroide brand OF dihydroergotamine mesylate; Pharmafrid brand OF dihydroergotamine mesylate; Ratiopharm brand OF dihydroergotamine mesylate; Fujisawa brand OF dihydroergotamine mesylate; Farmasan brand OF dihydroergotamine mesylate; Novartis brand OF dihydroergotamine mesylate; Hormosan brand OF dihydroergotamine mesylate; Alpharma brand OF dihydroergotamine mesylate; Schwarz brand OF dihydroergotamine mesylate; Desitin brand OF dihydroergotamine mesylate; Q-Pharm brand OF dihydroergotamine mesylate; Q Pharm brand OF dihydroergotamine mesylate; Xcel brand 1 OF dihydroergotamine mesylate; Xcel brand 2 OF dihydroergotamine mesylate; Sanol brand OF dihydroergotamine mesylate; Verla brand OF dihydroergotamine mesylate; Shire brand OF dihydroergotamine mesylate; Aliud brand OF dihydroergotamine mesylate; IPRAD brand OF dihydroergotamine mesylate; Anto brand OF dihydroergotamine mesylate; Dihydroergotamine monomethanesulfonate; Methanesulfonate, dihydroergotamine; Dihydroergotamine methanesulfonate; Mesylate, dihydroergotamine; dihydroergotamine mesylate; Dihydroergotamine-sandoz; Dihydroergotamine sandoz; 9,10-Dihydro-ergotamine; 9,10-Dihydroergotamine; D Tamin retard l.u.t.; D-Tamin retard l.u.t.; Dihydroergotamin al; Dihydroergotaminum; dihydroergotamine; Dihidroergotamina; Dihydroegotamine; Von CT, ergotam; Ergotam von CT; DHE ratiopharm; DHE-ratiopharm; Clavigrenin; Dihydergot; D.H.E. 45; DHE-puren; Angionorm; Ergomimet; Neomigran; Dihytamin; DHE puren; Orstanorm; Erganton; Verladyn; Migranal; Ikaran; DET MS; DHE 45; Seglor; DHE-45; Ergont; DHE45; Tamik; Agit



数据库引用编号

19 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

3 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

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