Methyl betulinate (BioDeep_00000396781)

 

Secondary id: BioDeep_00000249496, BioDeep_00000868829

PANOMIX_OTCML-2023


代谢物信息卡片


methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

化学式: C31H50O3 (470.37597500000004)
中文名称: 白桦酸甲酯, 桦木酸甲酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC
InChI: InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1

描述信息

Betulinic acid methyl ester is a triterpenoid.
Methyl betulinate is a natural product found in Ixeridium gracile, Euptelea polyandra, and other organisms with data available.

同义名列表

13 个代谢物同义名

methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate; methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid methyl ester; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate; Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-; Methyl 3beta-Hydroxylup-20(29)-en-28-oate; Methyl 3-hydroxylup-20(29)-en-28-oate; Betulinic acid methyl ester; betulinic acid methylester; 28-O-Methylbetulinic Acid; betulinate, Methyl; Methyl betulinate



数据库引用编号

8 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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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

  • Dang Ngoc Quang, Chung Thanh Pham, Linh Thi Khanh Le, Quynh Ngoc Ta, Ngoc Kim Dang, Nhung Thi Hoang, Dien Huu Pham. Cytotoxic constituents from Helicteres hirsuta collected in Vietnam. Natural product research. 2020 Feb; 34(4):585-589. doi: 10.1080/14786419.2018.1490907. [PMID: 30445838]
  • Martha Mullally, Christian Cayer, Kari Kramp, Marco Otárola Rojas, Pablo Sanchez Vindas, Mario Garcia, Luis Poveda Alvarez, Tony Durst, Zul Merali, Vance L Trudeau, John T Arnason. Souroubea sympetala (Marcgraviaceae): a medicinal plant that exerts anxiolysis through interaction with the GABAA benzodiazepine receptor. Canadian journal of physiology and pharmacology. 2014 Sep; 92(9):758-64. doi: 10.1139/cjpp-2014-0213. [PMID: 25140794]
  • D B Domínguez-Carmona, F Escalante-Erosa, K García-Sosa, G Ruiz-Pinell, D Gutierrez-Yapu, M J Chan-Bacab, A Giménez-Turba, L M Peña-Rodríguez. Antiprotozoal activity of betulinic acid derivatives. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2010 Apr; 17(5):379-82. doi: 10.1016/j.phymed.2009.08.002. [PMID: 19748254]
  • Longru Sun, M Mukhlesur Rahman, Brian W Skelton, Simon Gibbons. A new dihydrodibenzodioxinone from Hypericum x 'Hidcote'. Fitoterapia. 2009 Jun; 80(4):226-9. doi: 10.1016/j.fitote.2009.01.012. [PMID: 19535015]
  • Ji Young Choi, Minkyun Na, In Hyun Hwang, Seung Ho Lee, Eun Young Bae, Bo Yeon Kim, Jong Seog Ahn. Isolation of betulinic acid, its methyl ester and guaiane sesquiterpenoids with protein tyrosine phosphatase 1B inhibitory activity from the roots of Saussurea lappa C.B.Clarke. Molecules (Basel, Switzerland). 2009 Jan; 14(1):266-72. doi: 10.3390/molecules14010266. [PMID: 19136914]
  • Ji Young Choi, Eun Hyang Choi, Hee Wook Jung, Joon Seok Oh, Won-Hee Lee, Jong Gu Lee, Jong-Keun Son, Youngsoo Kim, Seung Ho Lee. Melanogenesis inhibitory compounds from Saussureae Radix. Archives of pharmacal research. 2008 Mar; 31(3):294-9. doi: 10.1007/s12272-001-1154-0. [PMID: 18409040]
  • 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]
  • Hanne L Ziegler, Henrik Franzyk, Majid Sairafianpour, Mehrnoush Tabatabai, Mahboubeh D Tehrani, Karim Bagherzadeh, Henry Hägerstrand, Dan Staerk, Jerzy W Jaroszewski. Erythrocyte membrane modifying agents and the inhibition of Plasmodium falciparum growth: structure-activity relationships for betulinic acid analogues. Bioorganic & medicinal chemistry. 2004 Jan; 12(1):119-27. doi: 10.1016/j.bmc.2003.10.010. [PMID: 14697777]
  • T Akihisa, J Ogihara, J Kato, K Yasukawa, M Ukiya, S Yamanouchi, K Oishi. Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase. Lipids. 2001 May; 36(5):507-12. doi: 10.1007/s11745-001-0750-4. [PMID: 11432464]
  • 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]