β-acetoxyisovalerylalkannin (BioDeep_00000230207)

   

PANOMIX_OTCML-2023


代谢物信息卡片


Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-

化学式: C23H26O8 (430.1627596)
中文名称: β-乙酰氧基异戊酰阿卡宁, 3-(乙酰氧基)-3-甲基丁酸 (1S)-1-(1,4-二氢-5,8-二羟基-1,4-二氧代-2-萘基)-4-甲基-3-戊烯基酯
谱图信息: 最多检出来源 Escherichia coli(natural_products) 50%

分子结构信息

SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)OC(=O)C)C
InChI: InChI=1S/C23H26O8/c1-12(2)6-9-18(30-19(28)11-23(4,5)31-13(3)24)14-10-17(27)20-15(25)7-8-16(26)21(20)22(14)29/h6-8,10,18,25-26H,9,11H2,1-5H3/t18-/m0/s1

描述信息

Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)- is a natural product found in Alkanna tinctoria with data available.
Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2].
Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2].

同义名列表

8 个代谢物同义名

Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-; (S)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-acetoxy-3-methylbutanoate; (S)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl3-acetoxy-3-methylbutanoate; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-acetyloxy-3-methylbutanoate; beta-acetoxyisovaleryl-shikonin; beta-acetoxyisovalerylshikonin; Acetoxyisovalerylshikonin, |A-; β-acetoxyisovalerylalkannin



数据库引用编号

5 个数据库交叉引用编号

分类词条

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代谢反应

0 个相关的代谢反应过程信息。

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文献列表

  • Nandini Sharma, Upendra K Sharma, Ajai P Gupta, Arun K Sinha, Brij Lal, Paramvir S Ahuja. Simultaneous densitometric determination of shikonin, acetylshikonin, and beta-acetoxyisovaleryl-shikonin in ultrasonic-assisted extracts of four Arnebia species using reversed-phase thin layer chromatography. Journal of separation science. 2009 Sep; 32(18):3239-45. doi: 10.1002/jssc.200900129. [PMID: 19697311]
  • Nandini Sharma, Upendra Kumar Sharma, Sonia Malik, Shashi Bhushan, Vinod Kumar, Subash Chandra Verma, Naina Sharma, Madhu Sharma, Arun Kumar Sinha. Isolation and purification of acetylshikonin and beta-acetoxyisovalerylshikonin from cell suspension cultures of Arnebia euchroma (Royle) Johnston using rapid preparative HPLC. Journal of separation science. 2008 Mar; 31(4):629-35. doi: 10.1002/jssc.200700489. [PMID: 18264989]