A1-34641 (BioDeep_00000230356)

 

Secondary id: BioDeep_00000021044, BioDeep_00000620166, BioDeep_00000863782

PANOMIX_OTCML-2023 Cytotoxicity


代谢物信息卡片


(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

化学式: C32H50O4 (498.37089000000003)
中文名称: 熊果酸乙酸酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 5.41%

分子结构信息

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O
InChI: InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1

描述信息

Acetylursolic acid is a triterpenoid.
Acetylursolic acid is a natural product found in Diospyros morrisiana, Chaenomeles speciosa, and other organisms with data available.
Ursolic acid acetate (Acetylursolic acid), isolated from the aerial roots of Ficus microcarpa, exhibits cytotoxicity against KB cells with IC50 of 8.4 μM[1].
Ursolic acid acetate (Acetylursolic acid), isolated from the aerial roots of Ficus microcarpa, exhibits cytotoxicity against KB cells with IC50 of 8.4 μM[1].

同义名列表

12 个代谢物同义名

(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; Acetylursolic acid; 3-Acetylursolic acid; 3-(Acetyloxy)urs-12-en-28-oic acid; 3 beta-O-acetylursolic acid; 3Beta-O-Acetylursolic Acid; 3-o-acetylursolic acid; 3-Acetylursolic Acid; Ursolic acid acetate; O-acetylursolic acid; Acetylursolic acid; A1-34641



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。



文献列表

  • Huiqiang Wei, Jianghong Guo, Xiao Sun, Wenfeng Gou, Hongxin Ning, Zhennan Fang, Qiang Liu, Wenbin Hou, Yiliang Li. Discovery and radiosensitization research of ursolic acid derivatives as SENP1 inhibitors. European journal of medicinal chemistry. 2022 Jan; 227(?):113918. doi: 10.1016/j.ejmech.2021.113918. [PMID: 34688014]
  • Eman Abu-Gharbieh, Naglaa Gamil Shehab. Therapeutic potentials of Crataegus azarolus var. eu- azarolus Maire leaves and its isolated compounds. BMC complementary and alternative medicine. 2017 Apr; 17(1):218. doi: 10.1186/s12906-017-1729-9. [PMID: 28420354]
  • Qingxi Su, Seema Dalal, Michael Goetz, Maria B Cassera, David G I Kingston. Antiplasmodial phloroglucinol derivatives from Syncarpia glomulifera. Bioorganic & medicinal chemistry. 2016 06; 24(11):2544-2548. doi: 10.1016/j.bmc.2016.04.020. [PMID: 27112454]
  • Hai-Jian Fu, Yu-Ren Zhou, Bei-Hua Bao, Meng-Xuan Jia, Yang Zhao, Lei Zhang, Jian-Xin Li, Hai-Lang He, Xian-Mei Zhou. Tryptophan hydroxylase 1 (Tph-1)-targeted bone anabolic agents for osteoporosis. Journal of medicinal chemistry. 2014 Jun; 57(11):4692-709. doi: 10.1021/jm5002293. [PMID: 24844139]
  • Jing Feng, Zhi-Yi Feng, Jun-Ming Wang, Ying Cui. [Study on the triterpenoids from the fruits of Ligustrum lucidum]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2011 Oct; 34(10):1540-4. doi: . [PMID: 22372142]
  • Simone C B Gnoatto, Alexandra Dassonville-Klimpt, Sophie Da Nascimento, Philippe Galéra, Karim Boumediene, Grace Gosmann, Pascal Sonnet, Safa Moslemi. Evaluation of ursolic acid isolated from Ilex paraguariensis and derivatives on aromatase inhibition. European journal of medicinal chemistry. 2008 Sep; 43(9):1865-77. doi: 10.1016/j.ejmech.2007.11.021. [PMID: 18192087]
  • Alexandre T C Taketa, Simone C B Gnoatto, Grace Gosmann, Viviane S Pires, Eloir P Schenkel, Dominique Guillaume. Triterpenoids from Brazilian Ilex species and their in vitro antitrypanosomal activity. Journal of natural products. 2004 Oct; 67(10):1697-700. doi: 10.1021/np040059+. [PMID: 15497942]
  • Norio Nakamura. [Inhibitory effects of some traditional medicines on proliferation of HIV-1 and its protease]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 2004 Aug; 124(8):519-29. doi: 10.1248/yakushi.124.519. [PMID: 15297721]
  • Jie Guo, Li-Hui Liu, Shuang-Xi Mei, Jing-Feng Zhao, Zhi-Rong Ma, Liang Li. [Studies on chemical constituents from the stems of Schisandra sphaerandra]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2003 Feb; 28(2):138-40. doi: . [PMID: 15015287]
  • C Ma, N Nakamura, H Miyashiro, M Hattori, K Shimotohno. Inhibitory effects of constituents from Cynomorium songaricum and related triterpene derivatives on HIV-1 protease. Chemical & pharmaceutical bulletin. 1999 Feb; 47(2):141-5. doi: 10.1248/cpb.47.141. [PMID: 10071849]