Dihydrovaltrate (BioDeep_00000000931)

 

Secondary id: BioDeep_00000355057, BioDeep_00001867568

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha,7-beta,7a-alpha))-

化学式: C22H32O8 (424.2097)
中文名称: 地戊曲酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 7.38%

分子结构信息

SMILES: CC(=O)OC1CC2C(COC(=O)CC(C)C)=COC(OC(=O)CC(C)C)C2C12CO2
InChI: InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3

描述信息

Didrovaltratum is an iridoid monoterpenoid.
Didrovaltrate is a natural product found in Valeriana pulchella, Fedia cornucopiae, and other organisms with data available.
See also: Viburnum opulus bark (has part).
Isolated from Valeriana subspecies Dihydrovaltrate is found in tea, fats and oils, and herbs and spices.
Dihydrovaltrate is found in fats and oils. Dihydrovaltrate is isolated from Valeriana specie
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

同义名列表

37 个代谢物同义名

Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha,7-beta,7a-alpha))-; Butanoic acid, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2-oxiran]-1-yl ester, [1S-(1.alpha.,4a.alpha.,6.alpha.,7.beta.,7a.alpha.)]-; BUTANOIC ACID, 3-METHYL-, (1S,2R,4AS,6S,7AS)-6-(ACETYLOXY)-4A,5,6,7A-TETRAHYDRO-4-((3-METHYL-1-OXOBUTOXY)METHYL)SPIRO(CYCLOPENTA(C)PYRAN-7(1H),2-OXIRAN)-1-YL ESTER; Butanoic acid, 3-methyl-, (1S,4aS,6S,2R,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2-oxiran)-1-yl ester; [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2-oxirane]-4-yl]methyl 3-methylbutanoate; ((1S,4aS,6S,7R,7aS)-6-Acetoxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2-oxiran]-4-yl)methyl 3-methylbutanoate; [6-(Acetyloxy)-1-[(3-methylbutanoyl)oxy]-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2-oxirane]-4-yl]methyl 3-methylbutanoic acid; (7S)-6alpha-Acetoxy-1-alpha-isovaleryloxy-4-isovaleryloxymethyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta(c)pyran-7-spiro-2-oxiran; 6-(acetyloxy)-1-[(3-methylbutanoyl)oxy]-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2-oxirane]-4-ylmethyl 3-methylbutanoate; Isovaleric acid, 3,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro(benzofuran-2(3H),2-oxirane)-3,4-diol, 6-acetate; Isovaleric acid,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro[benzofuran-2(3H),2-oxirane-3,4-diol, 6-acetate; 1,4a,5,7a-Tetrahydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2-oxirane)-4-methanol 6-acetate 1,4-diisovalerate; 1,5,7a-Tetrahydro-1,6-dihydroxyspiro[cyclopenta[c]pyran-7(6H),2-oxirane]-4-methanol 6-acetate 1,4-diisovalerate; Didrovaltrato [INN-Spanish]; Isovaltrate, 4a,5-dihydro-; Didrovaltratum [INN-Latin]; Isovalepotriate, dihydro-; Isovaltrate,5-dihydro-; Dihydroisovalepotriate; DIDROVALTRATE [MART.]; Didrovaltrat [German]; Isovaltrate, dihydro-; DIDROVALTRATE (MART.); Didrovaltrate [INN]; Dihydroisovaltratum; Dihydrovalepotriate; Dihydrovaltric acid; Dihydroisovaltrate; Dihydrovaltratum; dihydrovaltrate; UNII-KEN63D125F; Didrovaltratum; Didrovaltrato; Didrovaltrate; Didrovaltrat; KEN63D125F; Didrovaltratum



数据库引用编号

23 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)

18 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

  • Qiang Xie, Weihua Li, ZhengRong Huang, Ziguan Zhang. Effect of didrovaltrate on I-calcium current in rabbit ventricular myocytes. Journal of traditional Chinese medicine = Chung i tsa chih ying wen pan. 2012 Sep; 32(3):442-5. doi: 10.1016/s0254-6272(13)60052-7. [PMID: 23297570]
  • Lisa M Del Valle-Mojica, Yoshira M Ayala-Marín, Carmen M Ortiz-Sanchez, Bianca A Torres-Hernández, Safa Abdalla-Mukhaimer, José G Ortiz. Selective Interactions of Valeriana officinalis Extracts and Valerenic Acid with [H]Glutamate Binding to Rat Synaptic Membranes. Evidence-based complementary and alternative medicine : eCAM. 2011; 2011(?):403591. doi: 10.1155/2011/403591. [PMID: 21584239]
  • Mehar Darukhshan Kalim, Dipto Bhattacharyya, Anindita Banerjee, Sharmila Chattopadhyay. Oxidative DNA damage preventive activity and antioxidant potential of plants used in Unani system of medicine. BMC complementary and alternative medicine. 2010 Dec; 10(?):77. doi: 10.1186/1472-6882-10-77. [PMID: 21159207]
  • C M Bello de Carvalho, N Maurmann, D I Luz, A G Fett-Neto, S B Rech. Control of development and valepotriate production by auxins in micropropagated Valeriana glechomifolia. Plant cell reports. 2004 Oct; 23(4):251-5. doi: 10.1007/s00299-004-0827-6. [PMID: 15252693]
  • Andréia Loviane Silva, Sandra Beatriz Rech, Gilsane Lino von Poser. Quantitative determination of valepotriates from Valeriana native to South Brazil. Planta medica. 2002 Jun; 68(6):570-2. doi: 10.1055/s-2002-32544. [PMID: 12094311]
  • R Andreatini, J R Leite. Effect of valepotriates on the behavior of rats in the elevated plus-maze during diazepam withdrawal. European journal of pharmacology. 1994 Aug; 260(2-3):233-5. doi: 10.1016/0014-2999(94)90342-5. [PMID: 7988648]
  • C Keochanthala-Bounthanh, M Haag-Berrurier, J P Beck, R Anton. Effects of thiol compounds versus the cytotoxicity of valepotriates on cultured hepatoma cells. Planta medica. 1990 Apr; 56(2):190-2. doi: 10.1055/s-2006-960923. [PMID: 2353067]