AI3-00207 (BioDeep_00000859400)

Main id: BioDeep_00000000993

 

PANOMIX_OTCML-2023


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
谱图信息: 最多检出来源 () 0%

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, 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

81 个代谢物同义名

Geranyl acetate, food grade (71\\% geranyl acetate, 29\\% citronellyl acetate); 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; 3,7-Dimethyloctyl acetate, tetradehydro derivative; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid 3,7-dimethylocta-2,6-dienyl ester; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; 4-02-00-00204 (Beilstein Handbook Reference); 2-02-00-00153 (Beilstein Handbook Reference); trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; (2E)-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; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; trans-3,7-Dimethyl-2,6-octadienyl acetate; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; 3,7-Dimethyl-2,6-octadien-1-ol acetate; 3,7-dimethylocta-2,6-dienyl ethanoate; 3,7-Dimethylocta-2,6-dienyl acetate; Acetic acid, geraniol ester; Acetic acid geraniol ester; Acetic acid, geranyl ester; Geranyl acetate (natural); acetic acid geranyl ester; Neryl acetate (natural); Geranyl acetate, cis-; Bay pine (oyster) oil; WLN: 1Y & U3YU2OV1-T; Nerol acetate (6CI); Geranyl acetate A; EINECS 203-341-5; FEMA Number 2509; EINECS 269-749-0; EINECS 240-458-0; EINECS 205-459-2; geraniol acetate; Neryl ethanoate; W250910_ALDRICH; NCGC00091394-02; NCGC00091394-01; W250902_ALDRICH; Geranyl acetate; 173495_ALDRICH; FEMA No. 2773; FEMA No. 2509; NERYLACETATE; ZINC01531610; 45897_FLUKA; BRN 1722814; 130396-84-8; BRN 1722815; 130396-85-9; 45896_FLUKA; 33843-18-4; NCI-C54728; 68311-13-7; 16409-44-2; 68412-04-4; 8022-83-1; ST5306944; CCRIS 877; AI3-00207; AI3-35817; NSC-72031; HSDB 586; NSC 2584; 105-87-3; NSC2584; C09861



数据库引用编号

16 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

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)

171 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]
  • 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]
  • 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]
  • 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]
  • Wenlin Zhang, Tingting Chen, Jianmin Tang, Balasubramani Sundararajan, Zhiqin Zhou. Tracing the production area of citrus fruits using aroma-active compounds and their quality evaluation models. Journal of the science of food and agriculture. 2020 Jan; 100(2):517-526. doi: 10.1002/jsfa.10026. [PMID: 31512252]
  • 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]
  • Daniele Fraternale, Guido Flamini, Roberta Ascrizzi. In Vitro Anticollagenase and Antielastase Activities of Essential Oil of Helichrysum italicum subsp. italicum (Roth) G. Don. Journal of medicinal food. 2019 Oct; 22(10):1041-1046. doi: 10.1089/jmf.2019.0054. [PMID: 31199702]
  • Siwar Majdoub, Ridha El Mokni, Aliev Aslan Muradalievich, Alessandra Piras, Silvia Porcedda, Saoussen Hammami. Effect of pressure variation on the efficiency of supercritical fluid extraction of wild carrot (Daucus carota subsp. maritimus) extracts. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2019 Sep; 1125(?):121713. doi: 10.1016/j.jchromb.2019.121713. [PMID: 31323559]
  • 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]
  • D Andrys, M Adaszyńska-Skwirzyńska, D Kulpa. Jasmonic acid changes the composition of essential oil isolated from narrow-leaved lavender propagated in in vitro cultures. Natural product research. 2018 Apr; 32(7):834-839. doi: 10.1080/14786419.2017.1309533. [PMID: 28421828]
  • 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]
  • Lunzhao Yi, Naiping Dong, Shao Liu, Zhibiao Yi, Yi Zhang. Chemical features of Pericarpium Citri Reticulatae and Pericarpium Citri Reticulatae Viride revealed by GC-MS metabolomics analysis. Food chemistry. 2015 Nov; 186(?):192-9. doi: 10.1016/j.foodchem.2014.07.067. [PMID: 25976810]
  • Sandeep B Rajput, S Mohan Karuppayil. Small molecules inhibit growth, viability and ergosterol biosynthesis in Candida albicans. SpringerPlus. 2013 Dec; 2(1):26. doi: 10.1186/2193-1801-2-26. [PMID: 23449869]
  • Mohammad Moradi, Massoud Kaykhaii, Ali Reza Ghiasvand, Shahriar Shadabi, Alinazar Salehinia. Comparison of headspace solid-phase microextraction, headspace single-drop microextraction and hydrodistillation for chemical screening of volatiles in Myrtus communis L. Phytochemical analysis : PCA. 2012 Jul; 23(4):379-86. doi: 10.1002/pca.1368. [PMID: 22069217]
  • Mathews L Paret, Shiv K Sharma, Anne M Alvarez. Characterization of biofumigated Ralstonia solanacearum cells using micro-Raman spectroscopy and electron microscopy. Phytopathology. 2012 Jan; 102(1):105-13. doi: 10.1094/phyto-12-10-0330. [PMID: 21899389]
  • B A H E Balachandra, P U Pathirathna, P A Paranagama. Control of stored grain pest, Callosobruchus maculatus (F.) (Coleoptera: Bruchidae) using the essential oil isolated from Plectranthus zeylanicus. Natural product research. 2012; 26(23):2219-22. doi: 10.1080/14786419.2011.643883. [PMID: 22188569]
  • 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]
  • Gajanan B Zore, Archana D Thakre, V Rathod, S Mohan Karuppayil. Evaluation of anti-Candida potential of geranium oil constituents against clinical isolates of Candida albicans differentially sensitive to fluconazole: inhibition of growth, dimorphism and sensitization. Mycoses. 2011 Jul; 54(4):e99-109. doi: 10.1111/j.1439-0507.2009.01852.x. [PMID: 20337938]
  • Karina Caballero-Gallardo, Jesús Olivero-Verbel, Elena E Stashenko. Repellent activity of essential oils and some of their individual constituents against Tribolium castaneum herbst. Journal of agricultural and food chemistry. 2011 Mar; 59(5):1690-6. doi: 10.1021/jf103937p. [PMID: 21291237]
  • Deepak Ganjewala, Rajesh Luthra. Geranyl acetate esterase controls and regulates the level of geraniol in lemongrass (Cymbopogon flexuosus Nees ex Steud.) mutant cv. GRL-1 leaves. Zeitschrift fur Naturforschung. C, Journal of biosciences. 2009 Mar; 64(3-4):251-9. doi: 10.1515/znc-2009-3-417. [PMID: 19526721]
  • Andrea Maxia, Bruno Marongiu, Alessandra Piras, Silvia Porcedda, Enrica Tuveri, Maria J Gonçalves, Carlos Cavaleiro, Ligia Salgueiro. Chemical characterization and biological activity of essential oils from Daucus carota L. subsp. carota growing wild on the Mediterranean coast and on the Atlantic coast. Fitoterapia. 2009 Jan; 80(1):57-61. doi: 10.1016/j.fitote.2008.09.008. [PMID: 18950693]
  • Junheon Kim, Sun-Mi Seo, Sang-Gil Lee, Sang-Chul Shin, Il-Kwon Park. Nematicidal activity of plant essential oils and components from coriander (Coriandrum sativum), Oriental sweetgum (Liquidambar orientalis), and valerian (Valeriana wallichii) essential oils against pine wood nematode (Bursaphelenchus xylophilus). Journal of agricultural and food chemistry. 2008 Aug; 56(16):7316-20. doi: 10.1021/jf800780f. [PMID: 18605734]
  • Anders Vik, Anthony James, Lise-Lotte Gundersen. Screening of terpenes and derivatives for antimycobacterial activity; identification of geranylgeraniol and geranylgeranyl acetate as potent inhibitors of Mycobacterium tuberculosis in vitro. Planta medica. 2007 Oct; 73(13):1410-2. doi: 10.1055/s-2007-990238. [PMID: 17924309]
  • Marta Cristina Teixeira Duarte, Ewerton Eduardo Leme, Camila Delarmelina, Andressa Almeida Soares, Glyn Mara Figueira, Adilson Sartoratto. Activity of essential oils from Brazilian medicinal plants on Escherichia coli. Journal of ethnopharmacology. 2007 May; 111(2):197-201. doi: 10.1016/j.jep.2006.11.034. [PMID: 17210236]
  • Khozirah Shaari, Suryati Safri, Faridah Abas, Nordin Hj Lajis, D A Israf. A geranylacetophenone from the leaves of Melicope ptelefolia. Natural product research. 2006 May; 20(5):415-9. doi: 10.1080/14786410500045655. [PMID: 16644538]
  • Inna Guterman, Tania Masci, Xinlu Chen, Florence Negre, Eran Pichersky, Natalia Dudareva, David Weiss, Alexander Vainstein. Generation of phenylpropanoid pathway-derived volatiles in transgenic plants: rose alcohol acetyltransferase produces phenylethyl acetate and benzyl acetate in petunia flowers. Plant molecular biology. 2006 Mar; 60(4):555-63. doi: 10.1007/s11103-005-4924-x. [PMID: 16525891]
  • Ali Reza Fakhari, Peyman Salehi, Rouhollah Heydari, Samad Nejad Ebrahimi, Paul R Haddad. Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill. Journal of chromatography. A. 2005 Dec; 1098(1-2):14-8. doi: 10.1016/j.chroma.2005.08.054. [PMID: 16314156]
  • Anjali Prashar, Pauline Hili, Robert G Veness, Christine S Evans. Antimicrobial action of palmarosa oil (Cymbopogon martinii) on Saccharomyces cerevisiae. Phytochemistry. 2003 Jul; 63(5):569-75. doi: 10.1016/s0031-9422(03)00226-7. [PMID: 12809717]
  • 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]
  • Danae Pitarokili, Maria Couladis, Niki Petsikos-Panayotarou, Olga Tzakou. Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece. Journal of agricultural and food chemistry. 2002 Nov; 50(23):6688-91. doi: 10.1021/jf020422n. [PMID: 12405762]
  • L Feng, G D Prestwich. Expression and characterization of a lepidopteran general odorant binding protein. Insect biochemistry and molecular biology. 1997 May; 27(5):405-12. doi: 10.1016/s0965-1748(97)00012-x. [PMID: 9219366]
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