Geranyl acetate (BioDeep_00000000993)

 

Secondary id: BioDeep_00000264715, BioDeep_00000859400

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


Geranyl acetate, food grade (71\\% geranyl acetate, 29\\% citronellyl acetate)

化学式: C12H20O2 (196.14632200000003)
中文名称: 乙酸香叶酯, 乙酸香叶酯
谱图信息: 最多检出来源 Homo sapiens(lipidomics) 0.07%

分子结构信息

SMILES: C/C(C)=C\CC/C(C)=C/COC(C)=O
InChI: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

描述信息

Geranyl acetate is a clear colorless liquid with an odor of lavender. (NTP, 1992)
Geranyl acetate is a monoterpenoid that is the acetate ester derivative of geraniol. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It is functionally related to a geraniol.
Geranyl acetate is a natural product found in Nepeta nepetella, Xylopia sericea, and other organisms with data available.
See also: Lemon oil, cold pressed (part of); Coriander Oil (part of); Java citronella oil (part of).
Neryl acetate is found in cardamom. Neryl acetate is found in citrus, kumquat and pummelo peel oils, ginger, cardamon, clary sage, myrtle leaf and myrtle berries. Neryl acetate is a flavouring agent
A monoterpenoid that is the acetate ester derivative of geraniol.
Geranyl acetate, an acyclic monoterpene ester derived from geraniol, is widely used in the cosmetics industry due to its pleasant scent[1]. Geranyl acetate can induces cell apoptosis[2].
Geranyl acetate, an acyclic monoterpene ester derived from geraniol, is widely used in the cosmetics industry due to its pleasant scent[1]. Geranyl acetate can induces cell apoptosis[2].

同义名列表

98 个代谢物同义名

Geranyl acetate, food grade (71\\% geranyl acetate, 29\\% citronellyl acetate); Geranyl acetate, primary pharmaceutical reference standard; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; acetic acid trans-3,7-dimethyl-oct-2,6-dien-1-yl ester; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; 3,7-Dimethyloctyl acetate, tetradehydro derivative; Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; trans-3,7-Dimethyl-2,6-octadien-1-yl acetic acid; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; 2,6-Octadien-1-ol,3,7-dimethyl-,1-acetate,(2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; 3,7-Dimethyl-1-acetate(2E)-2,6-Octadien-1-ol; 2,6-OCTADIEN-1-OL,3,7-DIMETHYL-,ACETATE,(E)-; 4-02-00-00204 (Beilstein Handbook Reference); 3,7-Dimethyl-1-acetate(2Z)-2,6-Octadien-1-ol; trans-3,7-dimethyl-2,6-octadien-1-ol acetate; cis-3,7-dimethyl-2,6-octadien-1-yl ethanoate; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 3,7-Dimethyl-acetatetrans-2,6-Octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate; 3,7-Dimethyl-acetate(2Z)-2,6-Octadien-1-ol; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene; 3,7-Dimethyl-acetate(2E)-2,6-Octadien-1-ol; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; 3,7-Dimethyl-acetate(E)-2,6-Octadien-1-ol; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; trans-3,7-Dimethyl-2,6-octadienyl acetate; 3,7-DIMETHYL-2-TRANS-6-OCTADIENYL ACETATE; 3,7-dimethyl-2-trans,6-octadienyl acetate; (2E)-3,7-Dimethyl-2,6-octadienyl acetate; (e)-3,7-Dimethyl-2,6-octadienyl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; (Z)-3,7-Dimethyl-2,6-octadienyl acetate; 3,7-dimethylocta-2,6-dien-1-yl acetate; 3,7-Dimethyl-2,6-octadien-1-ol acetate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate, analytical standard; 2, 3,7-dimethyl-, acetate, trans-; trans-3,6-octadien-1-ol, acetate; 2, 3,7-dimethyl-, acetate, (E)-; 2, 3,7-dimethyl-, acetate,(E)-; Geranyl acetate, natural, FCC; geraniol acetate, (Z)-isomer; geraniol acetate, (E)-isomer; Acetic acid, geraniol ester; Acetic acid geraniol ester; Acetic acid, geranyl ester; Geranyl acetate (natural); acetic acid geranyl ester; (2E)-Geranyl acetic acid; 3, 6-octadienyl acetate; Geranyl acetate, >=97\\%; GERANYL ACETATE [HSDB]; GERANYL ACETATE [FHFI]; GERANYL ACETATE [INCI]; trans-Geraniol acetate; Geranyl acetate, cis-; GERANYL ACETATE [FCC]; trans-geranyl acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, FCC; (2E)-geranyl acetate; beta-Geranyl Acetate; Geranyl acetic acid; Nerol acetate (6CI); Geranyl ethanoate; Geranyl acetate A; Β-geranyl acetate; geraniol acetate; geranoil acetate; acetyl geraniol; UNII-3W81YG7P9R; Geranyl acetate; nerol acetate; geranylacetat; neryl acetate; Tox21_300355; Tox21_202089; 3W81YG7P9R; AI3-00207; Meraneine; SFE 12:2; 3,7-Dimethylocta-2,6-dienyl acetate



数据库引用编号

29 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(2)

BioCyc(0)

PlantCyc(0)

代谢反应

69 个相关的代谢反应过程信息。

Reactome(2)

  • Olfactory Signaling Pathway: GTP + odorant:Olfactory Receptor:GNAL:GDP:GNB1:GNG13 ⟶ GDP + odorant:Olfactory Receptor:GNAL:GTP:GNB1:GNG13
  • Sensory Perception: GTP + odorant:Olfactory Receptor:GNAL:GDP:GNB1:GNG13 ⟶ GDP + odorant:Olfactory Receptor:GNAL:GTP:GNB1:GNG13

BioCyc(1)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(66)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

334 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

  • Anvita Manjunath, G V Anoushka Chinmayi, Shruti Renganathan, Vivek Chandramohan, Sasmita Sabat. Antimicrobial activity of Geranyl acetate against cell wall synthesis proteins of P. aeruginosa and S. aureus using molecular docking and simulation. Journal of biomolecular structure & dynamics. 2023 May; ?(?):1-21. doi: 10.1080/07391102.2023.2212060. [PMID: 37199273]
  • Sabita Dangol, Darbin Kumar Poudel, Pawan Kumar Ojha, Salina Maharjan, Ambika Poudel, Rakesh Satyal, Anil Rokaya, Sujan Timsina, Noura S Dosoky, Prabodh Satyal, William N Setzer. Essential Oil Composition Analysis of Cymbopogon Species from Eastern Nepal by GC-MS and Chiral GC-MS, and Antimicrobial Activity of Some Major Compounds. Molecules (Basel, Switzerland). 2023 Jan; 28(2):. doi: 10.3390/molecules28020543. [PMID: 36677603]
  • Géraldine Lemaire, Malvina Olivero, Virginie Rouquet, Alain Moga, Aurélie Pagnon, Valérie Cenizo, Pascal Portes. Neryl acetate, the major component of Corsican Helichrysum italicum essential oil, mediates its biological activities on skin barrier. PloS one. 2023; 18(3):e0268384. doi: 10.1371/journal.pone.0268384. [PMID: 36867611]
  • Saeid Gasemi, Hassan Mahdavikia, Esmaeil Rezaei-Chiyaneh, Farzad Banaei-Asl, Aria Dolatabadian, Amir Sadeghpour. Co-inoculation of mycorrhizal fungi and plant growth-promoting rhizobacteria improve growth, biochemical and physiological attributes in Dracocephalum kotschyi Boiss. under water deficit stress. PeerJ. 2023; 11(?):e16474. doi: 10.7717/peerj.16474. [PMID: 38047030]
  • Minju Kim, Kandhasamy Sowndhararajan, Ponnuvel Deepa, Songmun Kim. Variations in the Chemical Composition of Essential Oils in Native Populations of Korean Thyme, Thymus quinquecostatus Celak. Molecules (Basel, Switzerland). 2022 Oct; 27(21):. doi: 10.3390/molecules27217203. [PMID: 36364030]
  • Daniel E K Kabotso, David Neglo, Pius Kwashie, Irene A Agbo, Daniel A Abaye. GC/MS Composition and Resistance Modulatory Inhibitory Activities of Three Extracts of Lemongrass: Citral Modulates the Activities of Five Antibiotics at Sub-Inhibitory Concentrations on Methicillin-Resistant Staphylococcus aureus. Chemistry & biodiversity. 2022 Sep; 19(9):e202200296. doi: 10.1002/cbdv.202200296. [PMID: 36026557]
  • Shane R Baldwin, Pratyajit Mohapatra, Monica Nagalla, Rhea Sindvani, Desiree Amaya, Hope A Dickson, Karen Menuz. Identification and characterization of CYPs induced in the Drosophila antenna by exposure to a plant odorant. Scientific reports. 2021 10; 11(1):20530. doi: 10.1038/s41598-021-99910-9. [PMID: 34654888]
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  • Gholamreza Gohari, Asghar Mohammadi, Ali Akbari, Sima Panahirad, Mohammad Reza Dadpour, Vasileios Fotopoulos, Seisuke Kimura. Titanium dioxide nanoparticles (TiO2 NPs) promote growth and ameliorate salinity stress effects on essential oil profile and biochemical attributes of Dracocephalum moldavica. Scientific reports. 2020 01; 10(1):912. doi: 10.1038/s41598-020-57794-1. [PMID: 31969653]
  • Sabir Nishanbaev, Khayrulla Bobakulov, Bakhodir Okhundedaev, Sobirdjan Sasmakov, Elvira Yusupova, Shakhnoz Azimova, Nasrulla Abdullaev. Component composition of the extracts and essential oils from the Alhagi canescens, growing in Uzbekistan and their antimicrobial activity. Natural product research. 2019 Dec; 33(23):3417-3420. doi: 10.1080/14786419.2018.1475384. [PMID: 29770713]
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  • Micaela G Chacón, Alice Marriott, Emanuele G Kendrick, Matthew Q Styles, David J Leak. Esterification of geraniol as a strategy for increasing product titre and specificity in engineered Escherichia coli. Microbial cell factories. 2019 Jun; 18(1):105. doi: 10.1186/s12934-019-1130-0. [PMID: 31176369]
  • 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]
  • Hitomi Miyazaki, Jun Otake, Hidefumi Mitsuno, Katsuhisa Ozaki, Ryohei Kanzaki, Anna Chui-Ting Chieng, Alvin Kah-Wei Hee, Ritsuo Nishida, Hajime Ono. Functional characterization of olfactory receptors in the Oriental fruit fly Bactrocera dorsalis that respond to plant volatiles. Insect biochemistry and molecular biology. 2018 10; 101(?):32-46. doi: 10.1016/j.ibmb.2018.07.002. [PMID: 30026095]
  • Tao Wu, Siwei Li, Bolin Zhang, Changhao Bi, Xueli Zhang. Engineering Saccharomyces cerevisiae for the production of the valuable monoterpene ester geranyl acetate. Microbial cell factories. 2018 Jun; 17(1):85. doi: 10.1186/s12934-018-0930-y. [PMID: 29866124]
  • Wirginia Kukula-Koch, Wojciech Koch, Lidia Czernicka, Kazimierz Głowniak, Yoshinori Asakawa, Akemi Umeyama, Zbigniew Marzec, Takashi Kuzuhara. MAO-A Inhibitory Potential of Terpene Constituents from Ginger Rhizomes-A Bioactivity Guided Fractionation. Molecules (Basel, Switzerland). 2018 May; 23(6):. doi: 10.3390/molecules23061301. [PMID: 29844252]
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  • Pradeep Kumar Kamila, Asit Ray, Sudipta Jena, Pradipta Kumar Mohapatra, Pratap Chandra Panda. Chemical composition and antioxidant activities of the essential oil of Hypericum gaitii Haines - an endemic species of Eastern India. Natural product research. 2018 Mar; 32(6):739-742. doi: 10.1080/14786419.2017.1338283. [PMID: 28595453]
  • Ruibin Zhang, Bing Wang, Gerarda Grossi, Patrizia Falabella, Yang Liu, Shanchun Yan, Jian Lu, Jinghui Xi, Guirong Wang. Molecular Basis of Alarm Pheromone Detection in Aphids. Current biology : CB. 2017 Jan; 27(1):55-61. doi: 10.1016/j.cub.2016.10.013. [PMID: 27916525]
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  • Subhash C Joshi, Chandra S Mathela. Antioxidant and antibacterial activities of the leaf essential oil and its constituents furanodienone and curzerenone from Lindera pulcherrima (Nees.) Benth. ex hook. f. Pharmacognosy research. 2012 Apr; 4(2):80-4. doi: 10.4103/0974-8490.94721. [PMID: 22518079]
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  • 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]
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  • Sriparna Kundusen, Malaya Gupta, Upal K Mazumder, Pallab K Haldar, Prerona Saha, Asis Bala. Antitumor Activity of Citrus maxima (Burm.) Merr. Leaves in Ehrlich's Ascites Carcinoma Cell-Treated Mice. ISRN pharmacology. 2011; 2011(?):138737. doi: 10.5402/2011/138737. [PMID: 22084708]
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