Sabinyl acetate (BioDeep_00000227764)

   

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product


代谢物信息卡片


4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-yl acetate

化学式: C12H18O2 (194.1306728)
中文名称: 醋酸沙丁酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 12.9%

分子结构信息

SMILES: C=C1C(OC(C)=O)CC2(C(C)C)CC12
InChI: InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3

描述信息

Sabinyl acetate, also known as sabinyl acetic acid or sabinyl acetate, (1alpha,3beta,5alpha)-isomer, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Sabinyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sabinyl acetate can be found in common sage and rosemary, which makes sabinyl acetate a potential biomarker for the consumption of these food products.

同义名列表

8 个代谢物同义名

4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-yl acetate; 1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-3-yl acetate; Sabinyl acetate, (1R-(1alpha,3beta,5alpha))-isomer; Sabinyl acetate, (1alpha,3beta,5alpha)-isomer; Sabinyl acetic acid; Sabinyl acetate; beta-Carotene; Sabinyl acetate



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)

25 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

  • Noura S Dosoky, William N Setzer. Maternal Reproductive Toxicity of Some Essential Oils and Their Constituents. International journal of molecular sciences. 2021 Feb; 22(5):. doi: 10.3390/ijms22052380. [PMID: 33673548]
  • Faten Younsi, Najoua Rahali, Sameh Mehdi, Mohamed Boussaid, Chokri Messaoud. Relationship between chemotypic and genetic diversity of natural populations of Artemisia herba-alba Asso growing wild in Tunisia. Phytochemistry. 2018 Apr; 148(?):48-56. doi: 10.1016/j.phytochem.2018.01.014. [PMID: 29421510]
  • Sanpeng Fan, Jin Chang, Yufeng Zong, Gaosheng Hu, Jingming Jia. GC-MS Analysis of the Composition of the Essential Oil from Dendranthema indicum Var. Aromaticum Using Three Extraction Methods and Two Columns. Molecules (Basel, Switzerland). 2018 Mar; 23(3):. doi: 10.3390/molecules23030576. [PMID: 29510531]
  • Alessandro Venditti, Filippo Maggi, Sauro Vittori, Fabrizio Papa, Anna Maria Serrilli, Mirella Di Cecco, Giampiero Ciaschetti, Manuela Mandrone, Ferruccio Poli, Armandodoriano Bianco. Volatile compounds from Achillea tenorii (Grande) growing in the Majella National Park (Italy). Natural product research. 2014; 28(20):1699-704. doi: 10.1080/14786419.2014.940349. [PMID: 25103502]
  • Haouari Mohsen, Ferchichi Ali. Essential oil composition of Artemisia herba-alba from southern Tunisia. Molecules (Basel, Switzerland). 2009 Apr; 14(4):1585-94. doi: 10.3390/molecules14041585. [PMID: 19384287]
  • G Fournier, N Pages, I Cosperec. Contribution to the study of Salvia lavandulifolia essential oil: potential toxicity attributable to sabinyl acetate. Planta medica. 1993 Feb; 59(1):96-7. doi: 10.1055/s-2006-959617. [PMID: 8441788]