alpha-Ergocryptine (BioDeep_00000398700)

Main id: BioDeep_00000003722

Secondary id: BioDeep_00000175909, BioDeep_00000403133

natural product PANOMIX_OTCML-2023 Volatile Flavor Compounds


代谢物信息卡片


alpha-Ergocryptine

化学式: C32H41N5O5 (575.3107536)
中文名称: 麦角克碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 31.45%

分子结构信息

SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
InChI: InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)

描述信息

Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12, 2 and 5 positions, respectively, and oxo groups at positions 3, 6, and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.085
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.083
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.081
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.080

同义名列表

3 个代谢物同义名

alpha-Ergocryptine; alpha-Ergocryptine; (6aS,9R)-N-[(1R,2R,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide



数据库引用编号

32 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)

7 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

  • Wiebke Rudolph, Daniela Remane, Dirk K Wissenbach, Frank T Peters. Comparative study on the metabolism of the ergot alkaloids ergocristine, ergocryptine, ergotamine, and ergovaline in equine and human S9 fractions and equine liver preparations. Xenobiotica; the fate of foreign compounds in biological systems. 2019 Oct; 49(10):1149-1157. doi: 10.1080/00498254.2018.1542187. [PMID: 30623698]
  • Matevž Likar, Marjana Grandič, Breda Jakovac Strajn, Katarina Kos, Franci Aco Celar. Links Between Genetic Groups, Host Specificity, and Ergot-Alkaloid Profiles within Claviceps purpurea (Fr.) Tul. on Slovenian Grasses. Plant disease. 2018 Jul; 102(7):1334-1340. doi: 10.1094/pdis-08-17-1179-re. [PMID: 30673578]
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  • A A Bacetty, M E Snook, A E Glenn, J P Noe, N Hill, A Culbreath, P Timper, P Nagabhyru, C W Bacon. Toxicity of endophyte-infected tall fescue alkaloids and grass metabolites on Pratylenchus scribneri. Phytopathology. 2009 Dec; 99(12):1336-45. doi: 10.1094/phyto-99-12-1336. [PMID: 19899999]
  • Ada A Bacetty, Maurice E Snook, Anthony E Glenn, James P Noe, Padmaja Nagabhyru, Charles W Bacon. Chemotaxis disruption in Pratylenchus scribneri by tall fescue root extracts and alkaloids. Journal of chemical ecology. 2009 Jul; 35(7):844-50. doi: 10.1007/s10886-009-9657-x. [PMID: 19575265]
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