Acevaltrate (BioDeep_00000396397)

Main id: BioDeep_00000011380

 

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


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

化学式: C24H32O10 (480.1995)
中文名称: 乙酰缬草三酯, 螺呋醋戊酯, 醋戊曲酯, 醋酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1(=CO[C@H]([C@H]2C1=C[C@@H]([C@@]12CO1)OC(=O)CC(C)(C)OC(=O)C)OC(=O)CC(C)C)COC(=O)C
InChI: InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1

描述信息

Acevaltrate is a fatty acid ester.
Acevaltratum is a natural product found in Fedia cornucopiae, Plectritis macrocera, and other organisms with data available.
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Acevaltrate inhibits the Na+/K+-ATPase activity in the rat kidney and brain hemispheres with IC50s of 22.8 μM and 42.3 μM, respectively[1].
Acevaltrate inhibits the Na+/K+-ATPase activity in the rat kidney and brain hemispheres with IC50s of 22.8 μM and 42.3 μM, respectively[1].

同义名列表

26 个代谢物同义名

Butanoic acid, 3-(acetyloxy)-3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro(cyclopenta(c)pyran-7(1H),2-oxiran)-6-yl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-; Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,2R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2-oxiran]-6-yl ester; BUTANOIC ACID, 3-(ACETYLOXY)-3-METHYL-, (1S,2R,6S,7AS)-4-((ACETYLOXY)METHYL)-6,7A-DIHYDRO-1-(3-METHYL-1-OXOBUTOXY)SPIRO(CYCLOPENTA(C)PYRAN-7(1H),2-OXIRAN)-6-YL ESTER; 4-Acetoxymethyl-1,6,7,7a-tetrahydrocyclopenta(c)pyran-7-spiro-2-oxiran-1,8-diyl 6-(beta-acetoxyisovalerat) 1-isovalerat oder 1-(beta-acetoxyisovalerat) 6-isovalerat; 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H), 2-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate); 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate acetate; [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate; (1S,6S,7R,7aS)-4-(Acetoxymethyl)-1-((3-methylbutanoyl)oxy)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2-oxiran]-6-yl 3-acetoxy-3-methylbutanoate; 4-[(acetyloxy)methyl]-7-[(3-methylbutanoyl)oxy]-7,7a-dihydro-2H-spiro[cyclopenta[c]pyran-1,2-oxirane]-2-yl 3-(acetyloxy)-3-methylbutanoate; (7-Amino-2-oxo-2H-chromen-4-yl)-acetic acid; Acevaltrato [INN-Spanish]; Acevaltratum [INN-Latin]; (Acetyloxy)valepotriate; ACEVALTRATE [MART.]; Acevaltrat [German]; Acevaltrate [INN]; UNII-S9MFK45GY9; Acetoxyvaltrate; Acetovaltrate; Acevaltratum; Acevaltrate; Acevaltrato; Acevaltrat; S9MFK45GY9; Acevaltrate; Acevaltrate



数据库引用编号

17 个数据库交叉引用编号

分类词条

相关代谢途径

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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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BioCyc(0)

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INOH(0)

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75 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。

亚细胞结构定位 关联基因列表
Cytoplasm 5 ANXA5, CCND1, MAF, OTUB1, USP10
Peripheral membrane protein 1 ANXA5
Nucleus 4 CCND1, GABPA, MAF, USP10
cytosol 6 ANXA5, ATP12A, CCND1, HACL1, OTUB1, USP10
centrosome 1 CCND1
nucleoplasm 6 ATP2B1, CCND1, GABPA, HACL1, OTUB1, USP10
RNA polymerase II transcription regulator complex 1 MAF
Cell membrane 1 ATP2B1
Lipid-anchor 1 USP10
Multi-pass membrane protein 2 ATP12A, ATP2B1
Golgi apparatus membrane 1 USP10
Synapse 1 ATP2B1
glutamatergic synapse 1 ATP2B1
Golgi apparatus 1 USP10
Golgi membrane 1 USP10
presynaptic membrane 1 ATP2B1
sarcolemma 1 ANXA5
plasma membrane 2 ATP12A, ATP2B1
synaptic vesicle membrane 1 ATP2B1
Membrane 2 ANXA5, ATP2B1
apical plasma membrane 1 ATP12A
basolateral plasma membrane 2 ATP12A, ATP2B1
extracellular exosome 3 ANXA5, ATP2B1, OTUB1
bicellular tight junction 1 CCND1
protein-containing complex 1 USP10
intracellular membrane-bounded organelle 2 ATP2B1, HACL1
extracellular region 1 ANXA5
Cytoplasmic vesicle, secretory vesicle, synaptic vesicle membrane 1 ATP2B1
Nucleus membrane 1 CCND1
nuclear membrane 1 CCND1
external side of plasma membrane 1 ANXA5
actin cytoskeleton 1 ATP12A
Early endosome 1 USP10
Apical cell membrane 1 ATP12A
focal adhesion 1 ANXA5
Peroxisome 1 HACL1
peroxisomal matrix 1 HACL1
collagen-containing extracellular matrix 1 ANXA5
lateral plasma membrane 1 ATP2B1
Zymogen granule membrane 1 ANXA5
chromatin 2 GABPA, MAF
cell projection 1 ATP2B1
Basolateral cell membrane 1 ATP2B1
Presynaptic cell membrane 1 ATP2B1
intermediate filament cytoskeleton 1 USP10
transcription repressor complex 1 CCND1
immunological synapse 1 ATP2B1
vesicle membrane 1 ANXA5
cytosolic ribosome 1 USP10
cyclin-dependent protein kinase holoenzyme complex 1 CCND1
endothelial microparticle 1 ANXA5
photoreceptor ribbon synapse 1 ATP2B1
cyclin D1-CDK4 complex 1 CCND1
potassium:proton exchanging ATPase complex 1 ATP12A
cyclin D1-CDK6 complex 1 CCND1


文献列表

  • Tong Sun, Yu-Jia Xu, Shuo-Yi Jiang, Zhuan Xu, Bi-Yin Cao, Gautam Sethi, Yuan-Ying Zeng, Yan Kong, Xin-Liang Mao. Suppression of the USP10/CCND1 axis induces glioblastoma cell apoptosis. Acta pharmacologica Sinica. 2021 Aug; 42(8):1338-1346. doi: 10.1038/s41401-020-00551-x. [PMID: 33184448]
  • Liz Girardi Müller, Luisa de Andrade Salles, Satchie Sakamoto, Ana Cristina Stein, Simone Tasca Cargnin, Eduardo Cassel, Rubem Figueiró Vargas, Stela Maris Kuze Rates, Gilsane Lino von Poser. Effect of storage time and conditions on the diene valepotriates content of the extract of Valeriana glechomifolia obtained by supercritical carbon dioxide. Phytochemical analysis : PCA. 2012 May; 23(3):222-7. doi: 10.1002/pca.1346. [PMID: 21953720]
  • Gustavo M Bettero, Luisa Salles, Renata M Rosário Figueira, Gilsane von Poser, Stela M K Rates, François Noël, Luis Eduardo M Quintas, Luis E M Quintas. In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. Planta medica. 2011 Oct; 77(15):1702-6. doi: 10.1055/s-0030-1271084. [PMID: 21567360]
  • Hong-ye Di, Jin-li Shi, Xing-li Yan, Ren Zhao, Yong Liu, Pei-gen Xiao. [Study on quality specification of Rhizoma et Radix Valeriana Jatamansi]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2007 Nov; 32(22):2357-9. doi: . [PMID: 18257257]
  • 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]