1,4-Cineole (BioDeep_00000000997)

 

Secondary id: BioDeep_00000861212

human metabolite PANOMIX_OTCML-2023 Endogenous natural product


代谢物信息卡片


(1s,4s)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane

化学式: C10H18O (154.1358)
中文名称: 1,4-桉叶素, 1,4-桉树脑
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 21.77%

分子结构信息

SMILES: CC(C)C12CCC(C)(CC1)O2
InChI: InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3

描述信息

1,4-cineole is an oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4. It has a role as a plant metabolite, a fumigant insecticide and a central nervous system depressant. It is a cineole and an oxabicycloalkane.
NA is a natural product found in Saxifraga stolonifera, Rhododendron anthopogonoides, and other organisms with data available.
Constituent of Piper cubeba (cubeb pepper). 1,4-Cineole is found in many foods, some of which are star anise, roselle, herbs and spices, and lime.
1,4-Cineole is found in cardamom. 1,4-Cineole is a constituent of Piper cubeba (cubeb pepper)
An oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4.
1,4-Cineole is a widely distributed, natural, oxygenated monoterpene[1]. 1,4-Cineole, present in Rhododendron anthopogonoides, activates both human TRPM8 and human TRPA1[2].
1,4-Cineole is a widely distributed, natural, oxygenated monoterpene[1]. 1,4-Cineole, present in Rhododendron anthopogonoides, activates both human TRPM8 and human TRPA1[2].

同义名列表

38 个代谢物同义名

(1s,4s)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane, 9CI; 7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- (6CI); (1S,4S)-1-ISOPROPYL-4-METHYL-7-OXABICYCLO[2.2.1]HEPTANE; 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-; 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE; 1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane; 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane; 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane; 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane #; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-; 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane; 1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane; 4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane; 5-17-01-00273 (Beilstein Handbook Reference); 1-isopropyl-4-methylbicyclo[2.2.1]heptane; 1,4-Cineole, analytical standard; 1,4-EPOXY-P-MENTHANE [HSDB]; RFFOTVCVTJUTAD-UHFFFAOYSA-N; 1,4-Cineole, >=95\\%, FG; p-Menthane, 1,4-epoxy-; 1,4-Cineole (natural); p-Menthane, 1,4-epoxy; 1,4-EPOXY-P-MENTHANE; IsocineoleIsocineole; 1,4-Cineole, >=85\\%; 1,4-CINEOLE [FHFI]; (+/-)-1,4-CINEOLE; UNII-B55JTU839B; 1,4-Cineole; Isocineple; B55JTU839B; Isocineole; 1,4-Cineol; p-Cineole; 1,4-Cineole; 1,4-Cineole



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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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)

10 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。

亚细胞结构定位 关联基因列表
Cytoplasm 2 AXIN2, CYP3A4
Peripheral membrane protein 1 ACHE
Endoplasmic reticulum membrane 2 CYP3A4, TRPM8
Nucleus 2 ACHE, AXIN2
cytosol 4 ANK1, ASNS, AXIN2, MYL4
centrosome 1 AXIN2
Cell membrane 4 ACHE, TRPA1, TRPM8, TRPV1
Multi-pass membrane protein 3 TRPA1, TRPM8, TRPV1
Synapse 1 ACHE
cell surface 1 ACHE
Golgi apparatus 1 ACHE
neuromuscular junction 1 ACHE
neuronal cell body 1 TRPV1
sarcolemma 1 ANK1
plasma membrane 7 ACHE, ANK1, AXIN2, BCHE, TRPA1, TRPM8, TRPV1
Membrane 6 ACHE, ANK1, CYP3A4, TRPA1, TRPM8, TRPV1
basolateral plasma membrane 1 ANK1
extracellular space 2 ACHE, BCHE
perinuclear region of cytoplasm 1 ACHE
intracellular membrane-bounded organelle 1 CYP3A4
Microsome membrane 1 CYP3A4
Secreted 2 ACHE, BCHE
extracellular region 2 ACHE, BCHE
cytoplasmic side of plasma membrane 1 ANK1
Extracellular side 1 ACHE
external side of plasma membrane 2 TRPM8, TRPV1
Z disc 1 ANK1
beta-catenin destruction complex 1 AXIN2
postsynaptic membrane 2 ANK1, TRPV1
Membrane raft 1 TRPM8
Cytoplasm, cytoskeleton 1 ANK1
axolemma 1 ANK1
GABA-ergic synapse 1 TRPV1
basement membrane 1 ACHE
sarcoplasmic reticulum 1 ANK1
Postsynaptic cell membrane 1 TRPV1
Cell projection, neuron projection 1 TRPV1
neuron projection 1 ANK1
stereocilium bundle 1 TRPA1
cytoskeleton 1 ANK1
blood microparticle 1 BCHE
Lipid-anchor, GPI-anchor 1 ACHE
myosin II complex 1 MYL4
M band 1 ANK1
side of membrane 1 ACHE
plasma membrane raft 1 TRPM8
endoplasmic reticulum lumen 1 BCHE
nuclear envelope lumen 1 BCHE
A band 1 MYL4
synaptic cleft 1 ACHE
Cell projection, dendritic spine membrane 1 TRPV1
dendritic spine membrane 1 TRPV1
spectrin-associated cytoskeleton 1 ANK1
ankyrin-1 complex 1 ANK1
[Isoform Mu18]: Sarcoplasmic reticulum 1 ANK1
[Isoform Mu19]: Sarcoplasmic reticulum 1 ANK1
[Isoform Mu20]: Sarcoplasmic reticulum 1 ANK1
[Isoform H]: Cell membrane 1 ACHE


文献列表

  • Aaron D Gross, Kevin B Temeyer, Tim A Day, Adalberto A Pérez de León, Michael J Kimber, Joel R Coats. Interaction of plant essential oil terpenoids with the southern cattle tick tyramine receptor: A potential biopesticide target. Chemico-biological interactions. 2017 Feb; 263(?):1-6. doi: 10.1016/j.cbi.2016.12.009. [PMID: 27986436]
  • 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]
  • Fan Tong, Joel R Coats. Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor. Pest management science. 2012 Aug; 68(8):1122-9. doi: 10.1002/ps.3280. [PMID: 22461383]
  • Kai Yang, Yu Xin Zhou, Cheng Fang Wang, Shu Shan Du, Zhi Wei Deng, Qi Zhi Liu, Zhi Long Liu. Toxicity of Rhododendron anthopogonoides essential oil and its constituent compounds towards Sitophilus zeamais. Molecules (Basel, Switzerland). 2011 Aug; 16(9):7320-30. doi: 10.3390/molecules16097320. [PMID: 22143541]
  • Abdul Ahad, Mohammed Aqil, Kanchan Kohli, Yasmin Sultana, Mohd Mujeeb, Asgar Ali. Interactions between novel terpenes and main components of rat and human skin: mechanistic view for transdermal delivery of propranolol hydrochloride. Current drug delivery. 2011 Mar; 8(2):213-24. doi: 10.2174/156720111794479907. [PMID: 21235472]
  • Ting Ouyang, Xi Mai. [Analysis of the chemical constituents of essential oil from Chimonanthus zhejiangensis by GC-MS]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2010 Mar; 33(3):385-7. doi: . [PMID: 20681305]
  • M Miyazawa, M Shindo, T Shimada. Roles of cytochrome P450 3A enzymes in the 2-hydroxylation of 1,4-cineole, a monoterpene cyclic ether, by rat and human liver microsomes. Xenobiotica; the fate of foreign compounds in biological systems. 2001 Oct; 31(10):713-23. doi: 10.1080/00498250110065595. [PMID: 11695850]
  • L Ji, Z Xu, G Pan, G Yang. [GC-MS analysis of constituents of essential oils from stems of Ephedra sinica Stapf, E. intermedia Schrenk et C.A. Mey. and E. equisetina Bge]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 1997 Aug; 22(8):489-92, 512. doi: ". [PMID: 11038918]
  • Y Asakawa, M Toyota, T Ishida. Biotransformation of 1,4-cineole, a monoterpene ether. Xenobiotica; the fate of foreign compounds in biological systems. 1988 Oct; 18(10):1129-34. doi: 10.3109/00498258809042235. [PMID: 3242309]