Isoeugenyl acetate (BioDeep_00000017317)

 

Secondary id: BioDeep_00000617613, BioDeep_00000870974

human metabolite PANOMIX_OTCML-2023 Endogenous Antitumor activity natural product


代谢物信息卡片


Phenol, 2-methoxy-4-(1E)-1-propen-1-yl-, 1-acetate

化学式: C12H14O3 (206.0942894)
中文名称: 乙酰基异丁香酚, 乙酸异丁香酚酯, 异丁香酚乙酸酯
谱图信息: 最多检出来源 Macaca mulatta(otcml) 0.85%

分子结构信息

SMILES: C/C=C/c1ccc(OC(C)=O)c(OC)c1
InChI: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+

描述信息

Isoeugenol acetate is a phenylpropanoid that is the acetate ester of trans-isoeugenol. It is a phenylpropanoid, a monomethoxybenzene and a member of phenyl acetates. It is functionally related to a trans-isoeugenol.
Isoeugenyl acetate is a natural product found in Valeriana officinalis with data available.
Isoeugenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2].
Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2].

同义名列表

56 个代谢物同义名

Phenol, 2-methoxy-4-(1E)-1-propen-1-yl-, 1-acetate; Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)-; 2-(methyloxy)-4-[(1E)-prop-1-enyl]phenyl acetate; Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate; 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate; (E)-2-Methoxy-4-(prop-1-en-1-yl)phenyl acetate; [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate; 1-Acetoxy-2-methoxy-4-[(E)-1-propenyl]benzene; Phenol, 2-methoxy-4-(1E)-1-propenyl-, acetate; 1-acetoxy-2-methoxy-4-trans-propenyl-benzene; Phenol, 2-methoxy-4-propenyl-, acetate, (E)-; 4-Acetoxy-3-methoxy-1-(1-propen-1-yl)benzene; (E)-2-methoxy-4-(prop-1-enyl)phenyl acetate; 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate; Phenol, 2-methoxy-4-(1-propenyl)-, acetate; 2-methoxy-4-(prop-1-en-1-yl)phenyl acetate; 1-Acetoxy-2-methoxy-4-(1-propenyl)benzene; 2-methoxy-4-(prop-1-en-1-yl)phenylacetate; Isoeugenyl acetate, analytical standard; 1-(3-methoxy-4-acetoxyphenyl)-1-propene; 2-Methoxy-4-(1-propenyl)phenyl acetate; PHENOL, 2-METHOXY-4-PROPENYL-, ACETATE; 2-methoxy-4-prop-1-enylphenyl acetate; 4-Acetoxy-3-methoxy-1-propenylbenzene; Isoeugenyl acetate, >=98\\%, FCC, FG; 2-Methoxy-4-propenylphenyl acetate; trans-Isoeugenol acetic acid; (e)-Isoeugenyl acetic acid; Isoeugenyl acetate, (E)-; trans-Isoeugenol acetate; Isoeugenyl acetic acid; Isoeugenol acetic acid; (E)-Isoeugenol Acetate; (E)-isoeugenyl acetate; Acetylated isoeugenol; isoeugenyl acetate 1; iso eugenyl acetate; Isoeugenol, acetate; O-Acetylisoeugenol; acetyl iso eugenol; kunshan asia aroma; WLN: 2U1R CO1 DOV1; Isoeugenol acetate; Isoeugenyl acetate; Isoeugenylacetate; Acetyl isoeugenol; Acetylisoeugenol; UNII-7XK69TOK59; Acetoisoeugenol; UNII-9DF21GI8W6; Acetisoeugenol; Isoeugenol; 9DF21GI8W6; 7XK69TOK59; AI3-24267; bestally



数据库引用编号

17 个数据库交叉引用编号

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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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12 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。

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