J17.727J (BioDeep_00000230351)

 

Secondary id: BioDeep_00000182002

PANOMIX_OTCML-2023


代谢物信息卡片


.BETA.-D-GLUCOPYRANOSIDE, TETRAHYDRO-5-HYDROXY-5B-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYCLOBUTA(CD)PENTALEN-1A(2H)-YL, (1AR-(1A.ALPHA.,2.BETA.,3A.ALPHA.,5.ALPHA.,5A.ALPHA.,5B.ALPHA.))-

化学式: C23H28O12 (496.1581)
中文名称: 氧化芍药苷, 羟基芍药苷
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 86.14%

分子结构信息

SMILES: CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O
InChI: InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1

描述信息

Oxypaeoniflorin is a monoterpene glycoside with formula C23H28O12, isolated from several species of Paeoniae. It has a role as a plant metabolite. It is a cyclic acetal, a lactol, a bridged compound, a beta-D-glucoside, a 4-hydroxybenzoate ester and a monoterpene glycoside.
Oxypaeoniflorin is a natural product found in Paeonia lactiflora and Phellodendron amurense with data available.
See also: Paeonia lactiflora root (part of); Paeonia veitchii root (part of); Paeonia X suffruticosa root bark (part of).
A monoterpene glycoside with formula C23H28O12, isolated from several species of Paeoniae.
Oxypaeoniflorin, an anti-oxidant, is a monoterpene glycoside compound isolated from Paeoniae species. Oxypaeoniflorin has neuroprotective and anti-inflammatory effects[1][2].
Oxypaeoniflorin, an anti-oxidant, is a monoterpene glycoside compound isolated from Paeoniae species. Oxypaeoniflorin has neuroprotective and anti-inflammatory effects[1][2].

同义名列表

16 个代谢物同义名

.BETA.-D-GLUCOPYRANOSIDE, TETRAHYDRO-5-HYDROXY-5B-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYCLOBUTA(CD)PENTALEN-1A(2H)-YL, (1AR-(1A.ALPHA.,2.BETA.,3A.ALPHA.,5.ALPHA.,5A.ALPHA.,5B.ALPHA.))-; (((1AR)-3A.BETA.,5,5A.BETA.,5B-TETRAHYDRO-5.BETA.-HYDROXY-5B.BETA.-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2.ALPHA.,5-METHANO-3,4-DIOXA-1H-CYCLOBUTA(CD)PENTALEN)-1A.BETA.(2H)-YL).BETA.-D-GLUCOPYRANOSIDE; beta-D-Glucopyranoside, tetrahydro-5-hydroxy-5b-(((4-hydroxybenzoyl)oxy)methyl)-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, (1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha))-; (((1AR)-3Abeta,5,5Abeta,5B-TETRAHYDRO-5beta-HYDROXY-5Bbeta-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2alpha,5-METHANO-3,4-DIOXA-1H-CYCLOBUTA(CD)PENTALEN)-1Abeta(2H)-YL)beta-D-GLUCOPYRANOSIDE; .BETA.-D-GLUCOPYRANOSIDE, (1AR,2S,3AR,5R,5AR,5BS)-TETRAHYDRO-5-HYDROXY-5B-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYCLOBUTA(CD)PENTALEN-1A(2H)-YL; beta-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl; beta-D-GLUCOPYRANOSIDE, (1AR,2S,3AR,5R,5AR,5BS)-TETRAHYDRO-5-HYDROXY-5B-(((4-HYDROXYBENZOYL)OXY)METHYL)-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYCLOBUTA(CD)PENTALEN-1A(2H)-YL; [(1aR,2S,3aR,5R,5aR,5bS)-1a-(beta-D-glucopyranosyloxy)-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl 4-hydroxybenzoate; ((2S,3R,5R,6R,8S)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-HYDROXY-8-METHYL-9,10-DIOXATETRACYCLO(4.3.1.02,5.03,8)DEC-2-YL)METHYL 4-HYDROXYBENZOATE; ((2S,3R,5R,6R,8S)-3-(beta-D-GLUCOPYRANOSYLOXY)-6-HYDROXY-8-METHYL-9,10-DIOXATETRACYCLO(4.3.1.02,5.03,8)DEC-2-YL)METHYL 4-HYDROXYBENZOATE; Oxypaeoniflorin; UNII-3A7O4NBD5S; Oxypaeoniflora; OXYPEONIFLORIN; 3A7O4NBD5S; J17.727J



数据库引用编号

10 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)

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。

亚细胞结构定位 关联基因列表


文献列表

  • Jun-Jin Liu, Yao Cheng, Yun-Yun Shao, Zhuang-Peng Chang, Yi-Ting Guo, Xiao-Juan Feng, Ding Xu, Jing-Ping Zhang, Yan Song, Rui-Gang Hou. Comparative pharmacokinetics and metabolites study of seven major bioactive components of Shaoyao-Gancao decoction in normal and polycystic ovary syndrome rats by ultra high pressure liquid chromatography with tandem mass spectrometry. Journal of separation science. 2019 Aug; 42(15):2534-2549. doi: 10.1002/jssc.201900002. [PMID: 31144455]
  • Lihua Zuo, Zhi Sun, Zhenhui Wang, Daling Ding, Tanye Xu, Liwei Liu, Li Gao, Shuzhang Du, Jian Kang, Xiaojian Zhang. Tissue distribution profiles of multiple major bioactive components in rats after intravenous administration of Xuebijing injection by UHPLC-Q-Orbitrap HRMS. Biomedical chromatography : BMC. 2019 Feb; 33(2):e4400. doi: 10.1002/bmc.4400. [PMID: 30255561]
  • Xiujun Wu, Yang You, Gonglin Qu, Ran Ma, Mingxue Zhang. Simultaneous determination of ginsenoside Rb1, ginsenoside Rg1, paeoniflorin, albiflorin and oxypaeoniflorin in rat plasma by liquid chromatography-tandem mass spectrometry: Application to a pharmacokinetic study of wen-Yang-Huo-Xue soft capsule. Biomedical chromatography : BMC. 2017 Dec; 31(12):. doi: 10.1002/bmc.4019. [PMID: 28557007]
  • Ming Kong, Huan-Huan Liu, Jun Xu, Chun-Ru Wang, Ming Lu, Xiao-Ning Wang, You-Bin Li, Song-Lin Li. Quantitative evaluation of Radix Paeoniae Alba sulfur-fumigated with different durations and purchased from herbal markets: simultaneous determination of twelve components belonging to three chemical types by improved high performance liquid chromatography-diode array detector. Journal of pharmaceutical and biomedical analysis. 2014 Sep; 98(?):424-33. doi: 10.1016/j.jpba.2014.06.027. [PMID: 25011060]
  • Ming-hua Zhang, Liang Feng, Mao-mao Zhu, Jun-fei Gu, Chan Wu, Xiao-bin Jia. Antioxidative and anti-inflammatory activities of paeoniflorin and oxypaeoniflora on AGEs-induced mesangial cell damage. Planta medica. 2013 Sep; 79(14):1319-23. doi: 10.1055/s-0033-1350649. [PMID: 23881455]
  • Chao Feng, Man Liu, Xiaowei Shi, Wei Yang, Dezhi Kong, Kunfeng Duan, Qiao Wang. Pharmacokinetic properties of paeoniflorin, albiflorin and oxypaeoniflorin after oral gavage of extracts of Radix Paeoniae Rubra and Radix Paeoniae Alba in rats. Journal of ethnopharmacology. 2010 Jul; 130(2):407-13. doi: 10.1016/j.jep.2010.05.028. [PMID: 20580804]
  • Shun-Jun Xu, Peng Li, Liu Yang, Mian Zhang, Zheng-Tao Wang. [Studies on HPLC fingerprint of cortex moutan]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2006 Oct; 31(20):1677-80. doi: ". [PMID: 17225532]
  • Shun-jun Xu, Liu Yang, Mian Zhang, Zheng-tao Wang. [Rapid identification of compounds in cortex moutan by liquid chromatography-tandem mass spectrometry]. Yao xue xue bao = Acta pharmaceutica Sinica. 2006 Sep; 41(9):852-6. doi: . [PMID: 17111832]
  • Gang Chen, Luyan Zhang, Pengyuan Yang. Determination of three bioactive constituents in moutan cortex by capillary electrophoresis with electrochemical detection. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry. 2005 Oct; 21(10):1161-5. doi: 10.2116/analsci.21.1161. [PMID: 16270571]
  • C F Wu. [A review on the pharmacology of Paeonia lactiflora and its chemical components]. Zhong yao tong bao (Beijing, China : 1981). 1985 Jun; 10(6):43-5. doi: ". [PMID: 2934174]