(R)-Heraclenol (BioDeep_00000017355)

 

Secondary id: BioDeep_00000411052

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-

化学式: C16H16O6 (304.0946836)
中文名称: 白芷属脑对照品, 白芷属脑, 独活属醇
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 27.87%

分子结构信息

SMILES: CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
InChI: InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3

描述信息

9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone is a member of psoralens.
9-(2,3-Dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one is a natural product found in Angelica dahurica with data available.
(R)-Heraclenol is found in herbs and spices. (R)-Heraclenol is obtained from roots of Angelica specie
obtained from roots of Angelica subspecies (R)-Heraclenol is found in herbs and spices.

同义名列表

17 个代谢物同义名

7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-; 9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone; 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one; 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one; 9-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one; 9-(2,3-dihydroxy-3-methylbutoxy)-2H-furo[3,2-g]chromen-2-one; 9-(2,3-Dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one; ( inverted exclamation markA)-Heraclenol; Isosaxalin; Heraclenol; (-)-Heraclenol; (R)-Heraclenol; MEGxp0_000083; ACon1_001942; heraclenol; HERALENOL; komalin



数据库引用编号

14 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)

4 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。



文献列表

  • Prashant Joshi, Vinay R Sonawane, Ibidapo S Williams, Glen J P McCann, Linda Gatchie, Rajni Sharma, Naresh Satti, Bhabatosh Chaudhuri, Sandip B Bharate. Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy via screening of a natural product repository. MedChemComm. 2018 Feb; 9(2):371-382. doi: 10.1039/c7md00388a. [PMID: 30108931]
  • Yu Fu, Yang Bai, Zhuoma Dawa, Bingru Bai, Lisheng Ding. [Chemical constituents of Incarvillea younghusbandii]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2010 Jan; 35(1):58-62. doi: 10.4268/cjcmm20100112. [PMID: 20349717]
  • Jaroslaw Widelski, Milena Popova, Konstantia Graikou, Kazimierz Glowniak, Ioanna Chinou. Coumarins from Angelica lucida L.--antibacterial activities. Molecules (Basel, Switzerland). 2009 Jul; 14(8):2729-34. doi: 10.3390/molecules14082729. [PMID: 19701119]
  • N Rastogi, J Abaul, K S Goh, A Devallois, E Philogène, P Bourgeois. Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe. FEMS immunology and medical microbiology. 1998 Apr; 20(4):267-73. doi: 10.1111/j.1574-695x.1998.tb01136.x. [PMID: 9626931]