1-Hydroxyestragole (BioDeep_00000331320)
代谢物信息卡片
化学式: C10H12O2 (164.0837)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C=CC(O)c1ccc(OC)cc1
InChI: InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7,10-11H,1H2,2H3
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)
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。
| 亚细胞结构定位 | 关联基因列表 |
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文献列表
- Alicia Paini, Ans Punt, Gabriele Scholz, Eric Gremaud, Bert Spenkelink, Gerrit Alink, Benoît Schilter, Peter J van Bladeren, Ivonne M C M Rietjens. In vivo validation of DNA adduct formation by estragole in rats predicted by physiologically based biodynamic modelling.
Mutagenesis.
2012 Nov; 27(6):653-63. doi:
10.1093/mutage/ges031. [PMID: 22844077] - W Alhusainy, A Paini, A Punt, J Louisse, A Spenkelink, J Vervoort, T Delatour, G Scholz, B Schilter, T Adams, P J van Bladeren, I M C M Rietjens. Identification of nevadensin as an important herb-based constituent inhibiting estragole bioactivation and physiology-based biokinetic modeling of its possible in vivo effect.
Toxicology and applied pharmacology.
2010 Jun; 245(2):179-90. doi:
10.1016/j.taap.2010.02.017. [PMID: 20226806] - Annette Zeller, Kathie Horst, Michael Rychlik. Study of the metabolism of estragole in humans consuming fennel tea.
Chemical research in toxicology.
2009 Dec; 22(12):1929-37. doi:
10.1021/tx900236g. [PMID: 19908891] - Ans Punt, Alicia Paini, Marelle G Boersma, Andreas P Freidig, Thierry Delatour, Gabriele Scholz, Benoît Schilter, Peter J van Bladeren, Ivonne M C M Rietjens. Use of physiologically based biokinetic (PBBK) modeling to study estragole bioactivation and detoxification in humans as compared with male rats.
Toxicological sciences : an official journal of the Society of Toxicology.
2009 Aug; 110(2):255-69. doi:
10.1093/toxsci/kfp102. [PMID: 19447879] - Ans Punt, Andreas P Freidig, Thierry Delatour, Gabriele Scholz, Marelle G Boersma, Benoît Schilter, Peter J van Bladeren, Ivonne M C M Rietjens. A physiologically based biokinetic (PBBK) model for estragole bioactivation and detoxification in rat.
Toxicology and applied pharmacology.
2008 Sep; 231(2):248-59. doi:
10.1016/j.taap.2008.04.011. [PMID: 18539307] - Suzanne M F Jeurissen, Ans Punt, Thierry Delatour, Ivonne M C M Rietjens. Basil extract inhibits the sulfotransferase mediated formation of DNA adducts of the procarcinogen 1'-hydroxyestragole by rat and human liver S9 homogenates and in HepG2 human hepatoma cells.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
2008 Jun; 46(6):2296-302. doi:
10.1016/j.fct.2008.03.010. [PMID: 18433972] - A Anthony, J Caldwell, A J Hutt, R L Smith. Metabolism of estragole in rat and mouse and influence of dose size on excretion of the proximate carcinogen 1'-hydroxyestragole.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
1987 Nov; 25(11):799-806. doi:
10.1016/0278-6915(87)90257-2. [PMID: 3121480] - R W Wiseman, E C Miller, J A Miller, A Liem. Structure-activity studies of the hepatocarcinogenicities of alkenylbenzene derivatives related to estragole and safrole on administration to preweanling male C57BL/6J x C3H/HeJ F1 mice.
Cancer research.
1987 May; 47(9):2275-83. doi:
. [PMID: 3567921] - N R Drinkwater, E C Miller, J A Miller, H C Pitot. Hepatocarcinogenicity of estragole (1-allyl-4-methoxybenzene) and 1'-hydroxyestragole in the mouse and mutagenicity of 1'-acetoxyestragole in bacteria.
Journal of the National Cancer Institute.
1976 Dec; 57(6):1323-31. doi:
10.1093/jnci/57.6.1323. [PMID: 187802]
