Methyl nigakinone (BioDeep_00000000854)

 

Secondary id: BioDeep_00000269375

PANOMIX_OTCML-2023


代谢物信息卡片


3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.0^{5,16.0^{10,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

化学式: C16H12N2O3 (280.0847882)
中文名称: 4,5-二甲氧基铁屎米酮, 苦木碱丁
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.59%

分子结构信息

SMILES: COC1=C(C(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4)OC
InChI: InChI=1S/C16H12N2O3/c1-20-14-12-13-10(7-8-17-12)9-5-3-4-6-11(9)18(13)16(19)15(14)21-2/h3-8H,1-2H3

描述信息

Methyl nigakinone is a member of beta-carbolines.
4,5-Dimethoxycanthin-6-one is a natural product found in Alangium chinense, Picrasma quassioides, and Eurycoma longifolia with data available.
4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].

同义名列表

7 个代谢物同义名

3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.0^{5,16.0^{10,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one; 3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one; InChI=1/C16H12N2O3/c1-20-14-12-13-10(7-8-17-12)9-5-3-4-6-11(9)18(13)16(19)15(14)21-2/h3-8H,1-2H; 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 4,5-dimethoxy-; 6H-indolo[3,2,1-de][1,5]naphthyridin-6-one, 4,5-dimethoxy-; 4,5-Dimethoxycanthin-6-one; Methyl nigakinone



数据库引用编号

13 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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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

  • Bo Luo, Xinqiang Song. A comprehensive overview of β-carbolines and its derivatives as anticancer agents. European journal of medicinal chemistry. 2021 Nov; 224(?):113688. doi: 10.1016/j.ejmech.2021.113688. [PMID: 34332400]
  • Xiaolei Miao, Jiaojiao You, Junjun Wang, Yong Chen. In vitro metabolism of 4, 5-dimethoxycanthin-6-one by human liver microsomes and its inhibition on human CYP1A2. Life sciences. 2017 Dec; 190(?):46-51. doi: 10.1016/j.lfs.2017.09.031. [PMID: 28962866]
  • Yan Zhang, Yun-Bao Liu, Yong Li, Shuang-Gang Ma, Li Li, Jing Qu, Dan Zhang, Xiao-Guang Chen, Jian-Dong Jiang, Shi-Shan Yu. Sesquiterpenes and alkaloids from the roots of Alangium chinense. Journal of natural products. 2013 Jun; 76(6):1058-63. doi: 10.1021/np4000747. [PMID: 23734721]
  • Jia Chen, Xiao-Hui Yan, Jia-Hong Dong, Peng Sang, Xin Fang, Ying-Tong Di, Zhong-Kai Zhang, Xiao-Jiang Hao. Tobacco mosaic virus (TMV) inhibitors from Picrasma quassioides Benn. Journal of agricultural and food chemistry. 2009 Aug; 57(15):6590-5. doi: 10.1021/jf901632j. [PMID: 19586051]