Ergocornine (BioDeep_00000398714)
Main id: BioDeep_00000002617
代谢物信息卡片
化学式: C31H39N5O5 (561.2951)
中文名称: 麦角考宁
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
InChI: InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
描述信息
Ergotaman bearing a hydroxy group at the 12 position, isopropyl groups at the 2 and 5alpha positions, and oxo groups at positions 3, 6, and 18. It is a natural ergot alkaloid.
CONFIDENCE Reference Standard (Level 1)
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.024
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.021
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.019
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.017
同义名列表
3 个代谢物同义名
数据库引用编号
25 个数据库交叉引用编号
- ChEBI: CHEBI:4820
- KEGG: C09162
- PubChem: 73453
- ChEMBL: CHEMBL1385840
- CAS: 564-36-3
- MoNA: AC000302
- MoNA: AC000301
- MoNA: AC000300
- MoNA: AC000299
- MoNA: AC000298
- MoNA: AC000297
- MoNA: AC000296
- MoNA: AC000295
- MoNA: AC000294
- MoNA: AC000293
- MoNA: BML81188
- MoNA: BML81187
- MoNA: BML81186
- MoNA: BML81185
- MetaboLights: MTBLC4820
- PubChem: 11354
- KNApSAcK: C00001719
- 3DMET: B02730
- NIKKAJI: J14.844J
- KNApSAcK: 4820
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)
4 个相关的物种来源信息
- 5111 - Claviceps purpurea:
- 52153 - Festuca rubra: 10.1021/JF00064A038
- 4606 - Lolium arundinaceum: 10.1021/JF00064A038
- 375857 - Scolochloa festucacea: 10.1021/JF00064A038
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
- 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] - A P Foote, D L Harmon, K R Brown, J R Strickland, K R McLeod, L P Bush, J L Klotz. Constriction of bovine vasculature caused by endophyte-infected tall fescue seed extract is similar to pure ergovaline.
Journal of animal science.
2012 May; 90(5):1603-9. doi:
10.2527/jas.2011-4513. [PMID: 22147482] - Dennis Mulac, Hans-Ulrich Humpf. Cytotoxicity and accumulation of ergot alkaloids in human primary cells.
Toxicology.
2011 Apr; 282(3):112-21. doi:
10.1016/j.tox.2011.01.019. [PMID: 21295106] - 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] - Rudolf Krska, Franz Berthiller, Rainer Schuhmacher, Kristian F Nielsen, Colin Crews. Determination of ergot alkaloids: purity and stability assessment of standards and optimization of extraction conditions for cereal samples.
Journal of AOAC International.
2008 Nov; 91(6):1363-71. doi:
. [PMID: 19202797] - Andreas F Lehner, Morrie Craig, Neil Fannin, Lowell Bush, Tom Tobin. Electrospray[+] tandem quadrupole mass spectrometry in the elucidation of ergot alkaloids chromatographed by HPLC: screening of grass or forage samples for novel toxic compounds.
Journal of mass spectrometry : JMS.
2005 Nov; 40(11):1484-502. doi:
10.1002/jms.933. [PMID: 16278935] - Marisa A Clementi, Ricardo P Deis, Carlos M Telleria. Luteal 3beta-hydroxysteroid dehydrogenase and 20alpha-hydroxysteroid dehydrogenase activities in the rat corpus luteum of pseudopregnancy: effect of the deciduoma reaction.
Reproductive biology and endocrinology : RB&E.
2004 May; 2(?):22. doi:
10.1186/1477-7827-2-22. [PMID: 15140254] - Kazuto Yasuda, Lu-Bin Lan, Dominique Sanglard, Katryn Furuya, John D Schuetz, Erin G Schuetz. Interaction of cytochrome P450 3A inhibitors with P-glycoprotein.
The Journal of pharmacology and experimental therapeutics.
2002 Oct; 303(1):323-32. doi:
10.1124/jpet.102.037549. [PMID: 12235267] - Sean Ekins, Richard B Kim, Brenda F Leake, Anne H Dantzig, Erin G Schuetz, Lu-Bin Lan, Kazuto Yasuda, Robert L Shepard, Mark A Winter, John D Schuetz, James H Wikel, Steven A Wrighton. Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein.
Molecular pharmacology.
2002 May; 61(5):964-73. doi:
10.1124/mol.61.5.964. [PMID: 11961113] - J M Schnitzius, N S Hill, C S Thompson, A M Craig. Semiquantitative determination of ergot alkaloids in seed, straw, and digesta samples using a competitive enzyme-linked immunosorbent assay.
Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc.
2001 May; 13(3):230-7. doi:
10.1177/104063870101300307. [PMID: 11482600] - H Tomogane, A Yokoyama. Plasma progesterone concentrations and length of the first spontaneous oestrous cycle in pubertal rats.
Journal of reproduction and fertility.
1990 Mar; 88(2):419-25. doi:
10.1530/jrf.0.0880419. [PMID: 2325012] - J T Uilenbroek. Effect of pentobarbitone sodium and bromocriptine on follicular oestradiol production in the rat.
Journal of reproduction and fertility.
1989 May; 86(1):327-33. doi:
10.1530/jrf.0.0860327. [PMID: 2754651] - S C Brown, E A Horgan, L M Savage, P S Brown. Changes in body water and plasma constituents during bullfrog development: effects of temperature and hormones.
The Journal of experimental zoology.
1986 Jan; 237(1):25-33. doi:
10.1002/jez.1402370106. [PMID: 3485177] - M A Mann, S D Michael, B Svare. Ergot drugs suppress plasma levels of prolactin (PRL) but not growth hormone (GH), luteinizing hormone (LH) or corticosterone (CORT) in parturient mice.
Pharmacology, biochemistry, and behavior.
1982 Oct; 17(4):837-40. doi:
10.1016/0091-3057(82)90368-9. [PMID: 6897450] - L C Minasian-Batmanian, A G Jabara. Hormone and drug effects on growth of DMBA mammary tumours and plasma prolactin levels in adreno-ovariectomized rats.
British journal of cancer.
1981 Jun; 43(6):832-41. doi:
10.1038/bjc.1981.122. [PMID: 6788061] - J C Young. Variability in the content and composition of alkaloids found in Canadian ergot. II. Wheat.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes.
1981; 16(4):381-93. doi:
10.1080/03601238109372265. [PMID: 6895228] - M Mann, S D Michael, B Svare. Ergot drugs suppress plasma prolactin and lactation but not aggression in parturient mice.
Hormones and behavior.
1980 Dec; 14(4):319-28. doi:
10.1016/0018-506x(80)90021-5. [PMID: 6894290]
