Echimidine (BioDeep_00000004090)

代谢物信息卡片

7-Angelyl-9-echimidinylretronecine

化学式: C20H31NO7 (397.2100416)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 14.55%

分子结构信息

SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O
InChI: InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1

描述信息

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2304
INTERNAL_ID 2304; CONFIDENCE Reference Standard (Level 1)

同义名列表

3 个代谢物同义名

7-Angelyl-9-echimidinylretronecine; Echimidine; Heliosupine

数据库引用编号

32 个数据库交叉引用编号

ChEBI: CHEBI:4744
KEGG: C10299
PubChem: 5281729
PubChem: 10627
Metlin: METLIN68228
ChEMBL: CHEMBL2269162
KNApSAcK: C00002085
CAS: 520-68-3
MoNA: NA003241
MoNA: NA003605
MoNA: NA002859
MoNA: NA002464
MoNA: NA003607
MoNA: NA003604
MoNA: NA003243
MoNA: NA002466
MoNA: NA002465
MoNA: NA003240
MoNA: NA002468
MoNA: NA003608
MoNA: NA002861
MoNA: NA002467
MoNA: NA003239
MoNA: NA002863
MoNA: NA003606
MoNA: NA003242
MoNA: NA002860
MoNA: NA002862
PMhub: MS000015594
PubChem: 12485
3DMET: B03720
NIKKAJI: J867.787E

分类词条

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)

8 个相关的物种来源信息

161689 - Echium humile: 10.1016/0031-9422(95)00847-0
113444 - Echium pininana: 10.1016/S0031-9422(00)98263-3
113446 - Echium plantagineum: 10.1071/CH9560512
1980592 - Echium rauwolfii: 10.1515/ZNC-1999-5-601
34253 - Echium vulgare: 10.1021/NP9600661
764736 - Symphytum asperum: 10.1007/978-3-642-49340-9_20
278672 - Symphytum officinale:
256504 - Symphytum tuberosum: 10.1016/S0031-9422(00)94343-7

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

Michał Gleńsk, Marta K Dudek, Peter Kinkade, Evelyn C S Santos, Vitold B Glinski, Daneel Ferreira, Ewa Seweryn, Sławomir Kaźmierski, Joao B Calixto, Jan A Glinski. Isolation of Echimidine and Its C-7 Isomers from Echium plantagineum L. and Their Hepatotoxic Effect on Rat Hepatocytes. Molecules (Basel, Switzerland). 2022 Apr; 27(9):. doi: 10.3390/molecules27092869. [PMID: 35566223]
Sara Abdelfatah, Janine Naß, Caroline Knorz, Sabine M Klauck, Jan-Heiner Küpper, Thomas Efferth. Pyrrolizidine alkaloids cause cell cycle and DNA damage repair defects as analyzed by transcriptomics in cytochrome P450 3A4-overexpressing HepG2 clone 9 cells. Cell biology and toxicology. 2022 04; 38(2):325-345. doi: 10.1007/s10565-021-09599-9. [PMID: 33884520]
Julia Buchmueller, Heike Sprenger, Johanna Ebmeyer, Josef Daniel Rasinger, Otto Creutzenberg, Dirk Schaudien, Jan G Hengstler, Georgia Guenther, Albert Braeuning, Stefanie Hessel-Pras. Pyrrolizidine alkaloid-induced transcriptomic changes in rat lungs in a 28-day subacute feeding study. Archives of toxicology. 2021 08; 95(8):2785-2796. doi: 10.1007/s00204-021-03108-x. [PMID: 34185104]
Lukas Rutz, Lan Gao, Jan-Heiner Küpper, Dieter Schrenk. Structure-dependent genotoxic potencies of selected pyrrolizidine alkaloids in metabolically competent HepG2 cells. Archives of toxicology. 2020 12; 94(12):4159-4172. doi: 10.1007/s00204-020-02895-z. [PMID: 32910235]
Johanna Ebmeyer, Josef Daniel Rasinger, Jan G Hengstler, Dirk Schaudien, Otto Creutzenberg, Alfonso Lampen, Albert Braeuning, Stefanie Hessel-Pras. Hepatotoxic pyrrolizidine alkaloids induce DNA damage response in rat liver in a 28-day feeding study. Archives of toxicology. 2020 05; 94(5):1739-1751. doi: 10.1007/s00204-020-02779-2. [PMID: 32419051]
Johanna Ebmeyer, Jessica Behrend, Mario Lorenz, Georgia Günther, Raymond Reif, Jan G Hengstler, Albert Braeuning, Alfonso Lampen, Stefanie Hessel-Pras. Pyrrolizidine alkaloid-induced alterations of prostanoid synthesis in human endothelial cells. Chemico-biological interactions. 2019 Jan; 298(?):104-111. doi: 10.1016/j.cbi.2018.11.007. [PMID: 30465738]
Claudia Luckert, Albert Braeuning, Alfonso Lampen, Stefanie Hessel-Pras. PXR: Structure-specific activation by hepatotoxic pyrrolizidine alkaloids. Chemico-biological interactions. 2018 May; 288(?):38-48. doi: 10.1016/j.cbi.2018.04.017. [PMID: 29665350]
Julia Waizenegger, Albert Braeuning, Markus Templin, Alfonso Lampen, Stefanie Hessel-Pras. Structure-dependent induction of apoptosis by hepatotoxic pyrrolizidine alkaloids in the human hepatoma cell line HepaRG: Single versus repeated exposure. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2018 Apr; 114(?):215-226. doi: 10.1016/j.fct.2018.02.036. [PMID: 29458164]
Matteo A Lucchetti, Verena Kilchenmann, Gaetan Glauser, Christophe Praz, Christina Kast. Nursing protects honeybee larvae from secondary metabolites of pollen. Proceedings. Biological sciences. 2018 03; 285(1875):. doi: 10.1098/rspb.2017.2849. [PMID: 29563265]
Rosalind R Dalefield, Michelle A Gosse, Utz Mueller. A 28-day oral toxicity study of echimidine and lasiocarpine in Wistar rats. Regulatory toxicology and pharmacology : RTP. 2016 Nov; 81(?):146-154. doi: 10.1016/j.yrtph.2016.08.006. [PMID: 27546169]