16-O-Methylcafestol (BioDeep_00000227431)

   

human metabolite natural product


代谢物信息卡片


[(1S,4S,12S,13R,16R,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-yl]methanol

化学式: C21H30O3 (330.21948299999997)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)OC)C=CO3
InChI: InChI=1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1

描述信息

16-o-methylcafestol, also known as 16-omc compound, is a member of the class of compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 16-o-methylcafestol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 16-o-methylcafestol can be found in arabica coffee, which makes 16-o-methylcafestol a potential biomarker for the consumption of this food product.

同义名列表

3 个代谢物同义名

[(1S,4S,12S,13R,16R,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-yl]methanol; 16-O-Methylcafestol; 16-OMC compound



数据库引用编号

6 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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INOH(0)

PlantCyc(0)

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17 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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文献列表

  • Federico Berti, Luciano Navarini, Elena Guercia, Ana Oreški, Alessandra Gasparini, Jeremy Scoltock, Cristina Forzato. Interaction of the Coffee Diterpenes Cafestol and 16-O-Methyl-Cafestol Palmitates with Serum Albumins. International journal of molecular sciences. 2020 Mar; 21(5):. doi: 10.3390/ijms21051823. [PMID: 32155814]
  • Elisabetta Schievano, Claudia Finotello, Elisabetta De Angelis, Stefano Mammi, Luciano Navarini. Rapid authentication of coffee blends and quantification of 16-O-methylcafestol in roasted coffee beans by nuclear magnetic resonance. Journal of agricultural and food chemistry. 2014 Dec; 62(51):12309-14. doi: 10.1021/jf505013d. [PMID: 25431971]