[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,9R,12aR,14bR)-10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (BioDeep_00001104186)

   


代谢物信息卡片


[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,9R,12aR,14bR)-10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

化学式: C59H96O26 (1220.6189516)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)O)CO)O)O)O
InChI: InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24?,25?,27-,28?,29?,30?,31?,32-,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,55+,56+,57-,58-,59-/m1/s1

描述信息

同义名列表

1 个代谢物同义名

[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,9R,12aR,14bR)-10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate



数据库引用编号

2 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)

0 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

  • Theodora G A Solovou, George Stravodimos, Georgios E Papadopoulos, Vassiliki T Skamnaki, Kalliope Papadopoulou, Demetres D Leonidas. Biochemical and Structural Studies of LjSK1, a Lotus japonicus GSK3β/SHAGGY-like Kinase, Reveal Its Functional Role. Journal of agricultural and food chemistry. 2024 Feb; 72(7):3763-3772. doi: 10.1021/acs.jafc.3c07101. [PMID: 38330914]
  • Soo Im Chang, Doug-Young Ryu. Assessment of subchronic toxicity and toxicokinetics of AG NPP709 in Sprague-Dawley rats. Journal of ethnopharmacology. 2023 Dec; 317(?):116801. doi: 10.1016/j.jep.2023.116801. [PMID: 37330073]
  • Shaheed Ur Rehman, Min Sun Choi, In Sook Kim, Seung Hyun Kim, Hye Hyun Yoo. An ultra-high-performance liquid chromatography-tandem mass spectrometric method for the determination of hederacoside C, a drug candidate for respiratory disorder, in rat plasma. Journal of pharmaceutical and biomedical analysis. 2016 Sep; 129(?):90-95. doi: 10.1016/j.jpba.2016.06.039. [PMID: 27411171]
  • Miao Yu, Jiaxin Liu, Lin Li, Haiyan Xu, Yanyan Xing, Yunli Zhao, Zhiguo Yu. Pharmacokinetic parameters of three active ingredients hederacoside C, hederacoside D, and ɑ-hederin in Hedera helix in rats. Journal of separation science. 2016 Sep; 39(17):3292-301. doi: 10.1002/jssc.201600523. [PMID: 27377040]
  • Kamil Wojciechowski, Marta Orczyk, Thomas Gutberlet, Thomas Geue. Complexation of phospholipids and cholesterol by triterpenic saponins in bulk and in monolayers. Biochimica et biophysica acta. 2016 Feb; 1858(2):363-73. doi: 10.1016/j.bbamem.2015.12.001. [PMID: 26654784]
  • Lucie Havliková, Kateřina Macáková, Lubomir Opleta, Petr Solich. Rapid Determination of α-Hederin and Hederacoside C in Extracts of Hedera helix Leaves Available in the Czech Republic and Poland. Natural product communications. 2015 Sep; 10(9):1529-31. doi: . [PMID: 26594750]
  • Ju Myung Kim, Ji Na Yoon, Ji Won Jung, Hye Duck Choi, Young June Shin, Chang Kyun Han, Hye Suk Lee, Hee Eun Kang. Pharmacokinetics of hederacoside C, an active ingredient in AG NPP709, in rats. Xenobiotica; the fate of foreign compounds in biological systems. 2013 Nov; 43(11):985-92. doi: 10.3109/00498254.2013.788231. [PMID: 23607546]
  • B Demirci, M Goppel, F Demirci, G Franz. HPLC profiling and quantification of active principles in leaves of Hedera helix L. Die Pharmazie. 2004 Oct; 59(10):770-4. doi: ". [PMID: 15544055]
  • Yvan Gaillard, Pierre Blaise, Alexandre Darré, Thierry Barbier, Gilbert Pépin. An unusual case of death: suffocation caused by leaves of common ivy (Hedera helix). Detection of hederacoside C, alpha-hederin, and hederagenin by LC-EI/MS-MS. Journal of analytical toxicology. 2003 May; 27(4):257-62. doi: 10.1093/jat/27.4.257. [PMID: 12820750]