(±)-Citronellyl acetate (BioDeep_00000396910)

 

Secondary id: BioDeep_00000003865, BioDeep_00000034714, BioDeep_00000619327

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


3,7-Dimethyl-6-octen-1-yl acetate;Citronellyl acetate

化学式: C12H22O2 (198.1619712)
中文名称: 香茅醇乙酸酯, 醋酸香茅, 乙酸香茅酯
谱图信息: 最多检出来源 unclassified Codonopsis(otcml) 24.77%

分子结构信息

SMILES: C/C(/C)=C/CCC(CCOC(C)=O)C
InChI: InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3

描述信息

Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It is functionally related to a citronellol.
Citronellyl acetate is a natural product found in Mikania cordifolia, Cinnamomum sieboldii, and other organisms with data available.
Citronellyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae.
See also: Java citronella oil (part of).
(±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant.
A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.
Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].

同义名列表

60 个代谢物同义名

3,7-Dimethyl-6-octen-1-yl acetate;Citronellyl acetate; Acetic acid, 3,7-dimethyl-6-octen-1-yl ester; 1-02-00-00065 (Beilstein Handbook Reference); Acetic acid,7-dimethyl-6-octen-1-yl ester; Citronellyl acetate, analytical standard; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate; 3,7-Dimethyl-6-octen-1-yl acetic acid; 6-Octen-1-ol, 3,7-dimethyl-, acetate; 6-Octen-l-ol, 3,7-dimethyl-, acetate; Citronellyl acetate, >=95\\%, FCC, FG; 2-Octen-8-ol, 2,6-dimethyl-, acetate; 3,7-Dimethyl-6-octen-1-yl ethanoate; (1)-3,7-Dimethyloct-6-enyl acetate; 6-Octen-1-ol,7-dimethyl-, acetate; 3,7-Dimethyl-6-octen-1-ol acetate; 2-Octen-8-ol,6-dimethyl-, acetate; 3,7-Dimethyloct-6-en-1-yl acetate; 3,7-Dimethyl-6-octen-1-yl acetate; 1-Acetoxy-3,7-dimethyloct-6-ene; citronellyl acetate, (S)-isomer; 3,7-Dimethyl-6-octenyl acetate; 3,7-dimethyloct-6-enyl acetate; Acetic acid, citronellyl ester; beta-Citronellol acetic acid; Ctronellyl acetate (natural); beta-Citronellyl acetic acid; (±)-citronellyl acetic acid; .beta.-Citronellol, acetate; CITRONELLYL ACETATE, (+/-)-; .beta.-Citronellyl acetate; CITRONELLYL ACETATE [INCI]; CITRONELLYL ACETATE [FHFI]; Β-citronellyl acetic acid; (+/-)-Citronellyl acetate; Β-citronellol acetic acid; CITRONELLYL ACETATE [FCC]; b-Citronellyl acetic acid; b-Citronellol acetic acid; beta-Citronellyl acetate; beta-citronellol acetate; Citronellyl acetic acid; (±)-Citronellyl acetate; DL-Citronellol acetate; b-Citronellyl acetate; b-Citronellol acetate; Citronellyl ethanoate; Β-citronellol acetate; Β-citronellyl acetate; ?Citronellyl acetate; Citronellol acetate; Citronellyl acetate; CitronellyI acetate; WLN: 1Y1&U3Y1&WOV1; Citronellylacetate; Cephrol acetate; FEMA 2311; Cephreine; AI3-02039; Citronellyl acetate; Citronellyl acetate



数据库引用编号

20 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。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

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48 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

  • Yuan Yuan, Ye Sun, Yanchun Zhao, Chungui Liu, Xiulan Chen, Fengtong Li, Jianzhong Bao. Identification of Floral Scent Profiles in Bearded Irises. Molecules (Basel, Switzerland). 2019 May; 24(9):. doi: 10.3390/molecules24091773. [PMID: 31067789]
  • Zuobing Xiao, Jing Luo, Yunwei Niu, Pinpin Wang, Ruolin Wang, Xiaoxin Sun. Olfactory impact of esters on rose essential oil floral alcohol aroma expression in model solution. Food research international (Ottawa, Ont.). 2019 02; 116(?):211-222. doi: 10.1016/j.foodres.2018.08.015. [PMID: 30716939]
  • René F Ramos Alvarenga, Baojie Wan, Taichi Inui, Scott G Franzblau, Guido F Pauli, Birgit U Jaki. Airborne antituberculosis activity of Eucalyptus citriodora essential oil. Journal of natural products. 2014 Mar; 77(3):603-10. doi: 10.1021/np400872m. [PMID: 24641242]
  • Jun Han, Soon-Il Kim, Byeoung-Ryeol Choi, Sang-Guei Lee, Young-Joon Ahn. Fumigant toxicity of lemon eucalyptus oil constituents to acaricide-susceptible and acaricide-resistant Tetranychus urticae. Pest management science. 2011 Dec; 67(12):1583-8. doi: 10.1002/ps.2216. [PMID: 21674753]
  • Yuhong Tian, Xiongmin Liu, Yonghong Zhou, Zhanjing Guo. [Extraction and determination of volatile constituents in leaves of Eucalyptus citriodora]. Se pu = Chinese journal of chromatography. 2005 Nov; 23(6):651-4. doi: . [PMID: 16498999]
  • Soon-Young Paik, Kyung-Hee Koh, Sung-Mok Beak, Seung-Hwan Paek, Jung-Ae Kim. The essential oils from Zanthoxylum schinifolium pericarp induce apoptosis of HepG2 human hepatoma cells through increased production of reactive oxygen species. Biological & pharmaceutical bulletin. 2005 May; 28(5):802-7. doi: 10.1248/bpb.28.802. [PMID: 15863882]
  • Hyang-Sook Choi. Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil. Journal of agricultural and food chemistry. 2005 Mar; 53(5):1642-7. doi: 10.1021/jf040324x. [PMID: 15740053]
  • Renata Baranauskiene, Rimantas P Venskutonis, Jan C R Demyttenaere. Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma. Journal of agricultural and food chemistry. 2003 Jun; 51(13):3840-8. doi: 10.1021/jf021187b. [PMID: 12797753]
  • Hyang-Sook Choi. Character impact odorants of Citrus Hallabong [(C. unshiu Marcov x C. sinensis Osbeck) x C. reticulata Blanco] cold-pressed peel oil. Journal of agricultural and food chemistry. 2003 Apr; 51(9):2687-92. doi: 10.1021/jf021069o. [PMID: 12696958]
  • Moshe Shalit, Inna Guterman, Hanne Volpin, Einat Bar, Tal Tamari, Naama Menda, Zach Adam, Dani Zamir, Alexander Vainstein, David Weiss, Eran Pichersky, Efraim Lewinsohn. Volatile ester formation in roses. Identification of an acetyl-coenzyme A. Geraniol/Citronellol acetyltransferase in developing rose petals. Plant physiology. 2003 Apr; 131(4):1868-76. doi: 10.1104/pp.102.018572. [PMID: 12692346]
  • Toyoshi Umezu, Hiroyasu Ito, Kimiyo Nagano, Miho Yamakoshi, Hiroko Oouchi, Misao Sakaniwa, Masatoshi Morita. Anticonflict effects of rose oil and identification of its active constituents. Life sciences. 2002 Nov; 72(1):91-102. doi: 10.1016/s0024-3205(02)02197-5. [PMID: 12409148]
  • Katumi Umano, Yukio Hagi, Takayuki Shibamoto. Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.). Journal of agricultural and food chemistry. 2002 Sep; 50(19):5355-9. doi: 10.1021/jf0203951. [PMID: 12207474]