Libanoridin (BioDeep_00000229889)

 

Secondary id: BioDeep_00000264716

PANOMIX_OTCML-2023


代谢物信息卡片


2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-

化学式: C16H16O5 (288.0997686)
中文名称: 二氢欧山芹醇醋酸酯, 二氢山芹醇醋酸酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 4.17%

分子结构信息

SMILES: CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
InChI: InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m0/s1

描述信息

Columbianetin acetate is an acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as a plant metabolite. It is a furanocoumarin and an acetate ester.
Columbianetin acetate is a natural product found in Murraya siamensis, Murraya koenigii, and other organisms with data available.
An acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol.
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
(S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
(S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
(S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
(S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].

同义名列表

19 个代谢物同义名

2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (S)-; (8S)-8-[1-(Acetyloxy)-1-methylethyl]-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one; 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl acetate; (S)-2-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl acetate; 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate; 8(S)-O-Acetyl-8,9-dihydrooroselol; Columbianetin acetate, (+)-; (8S)-O-acetylcolumbianetin; (8S)-columbianetin acetate; (S)-Columbianetin acetate; (+)-Columbianetin acetate; O-Acetylcolumbianetin; Columbianetin acetate; Acetyl columbianetin; Columbianetin; Libanoridin; HC3XTC3R4W



数据库引用编号

8 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)

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

  • Yuqiao Yang, Ruichao Zhu, Jin Li, Xuejing Yang, Jun He, Hui Wang, Yanxu Chang. Separation and Enrichment of Three Coumarins from Angelicae Pubescentis Radix by Macroporous Resin with Preparative HPLC and Evaluation of Their Anti-Inflammatory Activity. Molecules (Basel, Switzerland). 2019 Jul; 24(14):. doi: 10.3390/molecules24142664. [PMID: 31340484]
  • Yan-xu Chang, Qiu-Hong Zhang, Jin Li, Ling Zhang, Xin-rong Guo, Jun He, Peng Zhang, Lin Ma, Yan-ru Deng, Bo-li Zhang, Xiu-mei Gao. Simultaneous determination of scopoletin, psoralen, bergapten, xanthotoxin, columbianetin acetate, imperatorin, osthole and isoimperatorin in rat plasma by LC-MS/MS for pharmacokinetic studies following oral administration of Radix Angelicae Pubescentis extract. Journal of pharmaceutical and biomedical analysis. 2013 Apr; 77(?):71-5. doi: 10.1016/j.jpba.2012.12.031. [PMID: 23384552]
  • Xiu-wei Yang, Qing-mei Guo, Ying Wang. [Absorption and transport of 6 coumarins isolated from the roots of Angelica pubescens f. biserrata in human Caco-2 cell monolayer model]. Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine. 2008 Apr; 6(4):392-8. doi: 10.3736/jcim20080413. [PMID: 18405608]
  • Ya-Na Wu, Li-Biao Luan. [In situ rats single pass perfusion intestinal absorption of the effectivein components in Radix Angelicae Pubescentis]. Yao xue xue bao = Acta pharmaceutica Sinica. 2008 Jan; 43(1):102-7. doi: . [PMID: 18357742]
  • Q Cai, M Sha, S Yang. [Determination of columbianetin, columbianetin acetate and osthol in Angelica pubescens Maxim. f. biserrata Shan et Yuan by HPLC]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 1999 Sep; 24(9):552-4, 575. doi: . [PMID: 12205901]