C7FEJ7QWQE (BioDeep_00000230067)

 

Secondary id: BioDeep_00000335323

PANOMIX_OTCML-2023


代谢物信息卡片


7,9A-METHANO-9A.ALPHA.H-CYCLOPENTA(B)HEPTALENE-4,8,11,11A.BETA.,12(1H)-PENTOL, 2.BETA.,3.BETA.-EPOXY-2,3,3A.BETA.,4,4A.BETA.,5,6,7.BETA.,8,9,10,11.ALPHA.-DODECAHYDRO-1,1,4.BETA.,8.BETA.-TETRAMETHYL-

化学式: C20H32O6 (368.2199)
中文名称: 闹羊花毒素III, 闹羊花素 Ⅲ, 闹羊花素Ⅲ
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 94.51%

分子结构信息

SMILES: CC1(C)[C@@H]2[C@@H](O2)[C@]3([H])[C@]1(O)[C@H](O)C[C@@](C[C@@](C)(O)[C@]4([H])CC5)([C@]4([H])O)[C@]5([H])[C@@]3(C)O
InChI: InChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1

描述信息

Rhodojaponin III is a natural product found in Rhododendron simsii, Rhododendron catawbiense, and other organisms with data available.
Rhodojaponin III is a diterpenoid from the leaves of Rhododendron molle with anti-inflammatory activity[1].
Rhodojaponin III is a diterpenoid from the leaves of Rhododendron molle with anti-inflammatory activity[1].

同义名列表

13 个代谢物同义名

7,9A-METHANO-9A.ALPHA.H-CYCLOPENTA(B)HEPTALENE-4,8,11,11A.BETA.,12(1H)-PENTOL, 2.BETA.,3.BETA.-EPOXY-2,3,3A.BETA.,4,4A.BETA.,5,6,7.BETA.,8,9,10,11.ALPHA.-DODECAHYDRO-1,1,4.BETA.,8.BETA.-TETRAMETHYL-; 7,9a-Methano-9aalphaH-cyclopenta(b)heptalene-4,8,11,11abeta,12(1H)-pentol, 2beta,3beta-epoxy-2,3,3abeta,4,4abeta,5,6,7beta,8,9,10,11alpha-dodecahydro-1,1,4beta,8beta-tetramethyl-; 2beta,3beta-Epoxy-2,3,3abeta,4,4abeta,5,6,7beta,8,9,10,11alpha-dodecahydro-1,1,4beta,8beta-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalene-4,8,11,11abeta,12(1H)-pentol; 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,11,11a,12(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, (2R,3S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-; (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0(1),(1)(1).0?,?.0?,?]heptadecane-3,4,10,15,17-pentol; Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, (2.beta.,3.beta.,6.beta.,14R)-; Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, (2-beta,3-beta,6-beta,14R)-; (2.BETA.,3.BETA.,6.BETA.,14R)-2,3-EPOXYGRAYANOTOXANE-5,6,10,14,16-PENTOL; 2beta,3beta-epoxy-grayanotpxane-5beta,6beta,10alpha,14beta,16beta-pentol; Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, (2beta,3beta,6beta,14R)-; Rhodojaponin III; UNII-C7FEJ7QWQE; C7FEJ7QWQE



数据库引用编号

6 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

  • Qingyun Yang, Chuncao Zhao, Jian Yang, Jingyi Zhao, Yi Feng, Minchen Liu, Jiquan Zhang. Physical Characterization and Safety Evaluation of Folic Acid-conjugated Mesoporous Silica Nanoparticles Loaded with Rhodojaponin III. Current drug delivery. 2023; 20(10):1559-1568. doi: 10.2174/1567201820666221108121347. [PMID: 36366851]
  • Jian Yang, Qingyun Yang, Jingyi Zhao, Shuigen Sun, Minchen Liu, Yuan Wang, Yi Feng, Jiquan Zhang. Evaluation of Rhodojaponin III from Rhododendron molle G. Don on oral antinociceptive activity, mechanism of action, and subacute toxicity in rodents. Journal of ethnopharmacology. 2022 Aug; 294(?):115347. doi: 10.1016/j.jep.2022.115347. [PMID: 35533915]
  • Qingyun Yang, Jian Yang, Shuigen Sun, Jingyi Zhao, Shuang Liang, Yi Feng, Minchen Liu, Jiquan Zhang. Rhodojaponin III-Loaded Chitosan Derivatives-Modified Solid Lipid Nanoparticles for Multimodal Antinociceptive Effects in vivo. International journal of nanomedicine. 2022; 17(?):3633-3653. doi: 10.2147/ijn.s362443. [PMID: 35996527]
  • Ji-Quan Zhang, Chun-Cao Zhao, Qing-Yun Yang, Shuang Liang, Fei Wu, Bing-Liang Ma, Yi Feng. Pharmacokinetics, bioavailability and tissue distribution studies of rhodojaponin III in mice using QTRAP LC-MS/MS. Biomedical chromatography : BMC. 2019 Nov; 33(11):e4649. doi: 10.1002/bmc.4649. [PMID: 31301694]
  • Junfei Zhou, Tingting Liu, Hanqi Zhang, Guijuan Zheng, Yue Qiu, Mengyi Deng, Chun Zhang, Guangmin Yao. Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle. Journal of natural products. 2018 01; 81(1):151-161. doi: 10.1021/acs.jnatprod.7b00799. [PMID: 29272126]
  • Yong Li, Yun-Bao Liu, Jian-Jun Zhang, Yang Liu, Shuang-Gang Ma, Jing Qu, Hai-Ning Lv, Shi-Shan Yu. Antinociceptive Grayanoids from the Roots of Rhododendron molle. Journal of natural products. 2015 Dec; 78(12):2887-95. doi: 10.1021/acs.jnatprod.5b00456. [PMID: 26599832]
  • Lei-Chi Dong, Xiao-Hong Zhang, Jiang Ma, Na Luo, Wei Song, Ping Li, Hui-Jun Li. The integrated pharmacokinetics of major rhodojaponins correlates with the cardiotoxicity after oral administration of Rhododendri Mollis Flos extract in rats. Journal of ethnopharmacology. 2014 Nov; 157(?):69-78. doi: 10.1016/j.jep.2014.09.021. [PMID: 25256689]
  • Guohua Zhong, Meiying Hu, Xiaojin Liu, Chuyan Peng. [Determination of rhodojaponin, a novel botanical insecticide by HPTLC]. Se pu = Chinese journal of chromatography. 2004 May; 22(3):296. doi: ". [PMID: 15712932]
  • Yanni Xiang, Changgong Zhang, Yajie Zheng. Studies on the chemical constituents of the roots of Rhododendron molle G. Don. Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban. 2004; 24(2):202-4. doi: 10.1007/bf02885430. [PMID: 15315181]
  • X Ji, Z Liu, J Chen. [Chemical composition of Craibiodendron henryi W. W. Smith]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 1996 Jul; 21(7):422-3, 447. doi: ". [PMID: 9642392]