Dimethylfraxetin (BioDeep_00000229821)

   

PANOMIX_OTCML-2023


代谢物信息卡片


InChI=1/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H

化学式: C12H12O5 (236.0685)
中文名称: 二甲基白蜡树亭, 白蜡树素, 涔皮素
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 88.46%

分子结构信息

SMILES: c1(c(cc2c(c1OC)oc(=O)cc2)OC)OC
InChI: InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3

描述信息

6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins.
Dimethylfraxetin is a natural product found in Pittosporum illicioides, Garcinia multiflora, and other organisms with data available.
Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.
Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.

同义名列表

25 个代谢物同义名

InChI=1/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H; 6,7,8-Trimethoxycoumarin;Fraxetin dimethyl ether; 2H-1-Benzopyran-2-one, 6,7,8-trimethoxy-; 2H-Benzopyran-2-one, 6,7,8-trimethoxy-; 6,7,8-trimethoxy-1-benzopyran-2-one; 6,7,8-Trimethoxy-2H-chromen-2-one; 6,7,8-trimethoxychromen-2-one; RAYQKHLZHPFYEJ-UHFFFAOYSA-N; 6,7,8,-trimethoxycoumarin; 6,7,8-trimethoxycoumarin; Fraxetin dimethyl ether; Fraxidin Methyl Ether; Di-O-methylfraxetin; Spectrum3_000111; Spectrum5_000124; Spectrum2_000357; Spectrum4_001392; Dimethylfraxetin; DivK1c_006182; KBio2_001115; KBio2_003683; KBio1_001126; KBio3_000862; KBio2_006251; 6,7,8-Trimethoxy-2H-1-benzopyran-2-one



数据库引用编号

11 个数据库交叉引用编号

分类词条

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)

1 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


文献列表

  • Dong Ju Son, Gyung Rak Lee, Sungil Oh, Sung Eun Lee, Won Sik Choi. Gastroprotective efficacy and safety evaluation of scoparone derivatives on experimentally induced gastric lesions in rodents. Nutrients. 2015 Mar; 7(3):1945-64. doi: 10.3390/nu7031945. [PMID: 25781220]
  • Rohan A Davis, Daniela Vullo, Alfonso Maresca, Claudiu T Supuran, Sally-Ann Poulsen. Natural product coumarins that inhibit human carbonic anhydrases. Bioorganic & medicinal chemistry. 2013 Mar; 21(6):1539-43. doi: 10.1016/j.bmc.2012.07.021. [PMID: 22892213]
  • Judith M Rollinger, Daniela Schuster, Birgit Danzl, Stefan Schwaiger, Patrick Markt, Michaela Schmidtke, Jürg Gertsch, Stefan Raduner, Gerhard Wolber, Thierry Langer, Hermann Stuppner. In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens. Planta medica. 2009 Feb; 75(3):195-204. doi: 10.1055/s-0028-1088397. [PMID: 19096995]
  • Tsung-Hsien Chou, Ih-Sheng Chen, Tsong-Long Hwang, Tai-Chi Wang, Tzong-Huei Lee, Lin-Yang Cheng, Ya-Chih Chang, Jui-Ying Cho, Jih-Jung Chen. Phthalides from Pittosporum illicioides var. illicioides with inhibitory activity on superoxide generation and elastase release by neutrophils. Journal of natural products. 2008 Oct; 71(10):1692-5. doi: 10.1021/np8004503. [PMID: 18817445]
  • Jih-Jung Chen, Tzu-Ying Wang, Tsong-Long Hwang. Neolignans, a coumarinolignan, lignan derivatives, and a chromene: anti-inflammatory constituents from Zanthoxylum avicennae. Journal of natural products. 2008 Feb; 71(2):212-7. doi: 10.1021/np070594k. [PMID: 18211005]
  • Erum Anis, Itrat Anis, Saeed Ahmed, Ghulam Mustafa, Abdul Malik, Nighat Afza, Syed Muhammad Abdul Hai, Syed Shahzad-ul-hussan, Muhammad Iqbal Choudhary. Alpha-glucosidase inhibitory constituents from Cuscuta reflexa. Chemical & pharmaceutical bulletin. 2002 Jan; 50(1):112-4. doi: 10.1248/cpb.50.112. [PMID: 11824569]
  • S J Semple, S F Nobbs, S M Pyke, G D Reynolds, R L Flower. Antiviral flavonoid from Pterocaulon sphacelatum, an Australian Aboriginal medicine. Journal of ethnopharmacology. 1999 Dec; 68(1-3):283-8. doi: 10.1016/s0378-8741(99)00050-1. [PMID: 10624889]
  • A S Galabov, T Iosifova, E Vassileva, I Kostova. Antiviral activity of some hydroxycoumarin derivatives. Zeitschrift fur Naturforschung. C, Journal of biosciences. 1996 Jul; 51(7-8):558-62. doi: 10.1515/znc-1996-7-815. [PMID: 8810095]