Rotundone (BioDeep_00000021730)

 

Secondary id: BioDeep_00000000902

human metabolite Endogenous natural product


代谢物信息卡片


3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one

化学式: C15H22O (218.1671)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 25.66%

分子结构信息

SMILES: C=C(C)C1CCC(C)C2=C(C1)C(C)CC2=O
InChI: InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3

描述信息

Rotundone is found in root vegetables. Rotundone is a constituent of the essential oil of Cyperus rotundus (nutgrass).
Constituent of the essential oil of Cyperus rotundus (nutgrass). Rotundone is found in root vegetables.

同义名列表

6 个代谢物同义名

3,8-dimethyl-5-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-azulen-1-one; 3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-one; Guaia-1(5),11-dien-2-one, (-)-; Cyperenone; Rotundone; Rotundone



数据库引用编号

15 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)

12 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 5 EDN1, ESR1, HPGDS, POMC, PTGS2
Peripheral membrane protein 2 ESR1, PTGS2
Endoplasmic reticulum membrane 3 HMOX1, PTGS2, RAC2
Nucleus 5 ESR1, ESR2, FOS, GABPA, HMOX1
cytosol 5 ESR1, FOS, HMOX1, HPGDS, RAC2
nucleoplasm 6 ESR1, ESR2, FOS, GABPA, HMOX1, HPGDS
RNA polymerase II transcription regulator complex 1 FOS
Cell membrane 3 ESR1, TNF, TRPV1
Cytoplasmic side 2 ESR1, HMOX1
lamellipodium 1 RAC2
Multi-pass membrane protein 1 TRPV1
cell surface 1 TNF
Golgi apparatus 1 ESR1
lysosomal membrane 1 GAA
neuronal cell body 2 TNF, TRPV1
Lysosome 1 GAA
plasma membrane 5 ESR1, GAA, RAC2, TNF, TRPV1
Membrane 4 ESR1, GAA, HMOX1, TRPV1
axon 1 CCK
caveola 1 PTGS2
extracellular exosome 2 GAA, RAC2
Lysosome membrane 1 GAA
endoplasmic reticulum 3 FOS, HMOX1, PTGS2
extracellular space 5 CCK, EDN1, HMOX1, POMC, TNF
lysosomal lumen 1 GAA
perinuclear region of cytoplasm 1 HMOX1
mitochondrion 1 ESR2
protein-containing complex 2 ESR1, PTGS2
intracellular membrane-bounded organelle 3 ESR2, GAA, HPGDS
Microsome membrane 1 PTGS2
Secreted 4 CCK, EDN1, GAA, POMC
extracellular region 5 CCK, EDN1, GAA, POMC, TNF
mitochondrial outer membrane 2 HMOX1, RAC2
basal part of cell 1 EDN1
transcription regulator complex 1 ESR1
external side of plasma membrane 2 TNF, TRPV1
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
postsynaptic membrane 1 TRPV1
Membrane raft 1 TNF
focal adhesion 1 RAC2
GABA-ergic synapse 1 TRPV1
secretory granule 1 POMC
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
Postsynaptic cell membrane 1 TRPV1
Cell projection, neuron projection 1 TRPV1
neuron projection 1 PTGS2
chromatin 4 ESR1, ESR2, FOS, GABPA
phagocytic cup 1 TNF
phagocytic vesicle membrane 1 RAC2
nuclear envelope 1 RAC2
tertiary granule membrane 1 GAA
euchromatin 1 ESR1
secretory granule lumen 1 POMC
endoplasmic reticulum lumen 1 PTGS2
nuclear matrix 1 FOS
transport vesicle 1 EDN1
azurophil granule membrane 1 GAA
Single-pass type IV membrane protein 1 HMOX1
[Isoform 1]: Nucleus 1 ESR1
protein-DNA complex 1 FOS
ficolin-1-rich granule membrane 1 GAA
Cell projection, dendritic spine membrane 1 TRPV1
dendritic spine membrane 1 TRPV1
transcription factor AP-1 complex 1 FOS
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
rough endoplasmic reticulum lumen 1 EDN1
Weibel-Palade body 1 EDN1
NADPH oxidase complex 1 RAC2
autolysosome lumen 1 GAA
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

  • Raman Singh, Himanshi Gupta, Anmol, Gaurav Aggarwal, Kangkanjyoti Bhattacharyya, Upendra Sharma, S G Eswara Reddy. Cyperus rotundus L.: Invasive weed plant with insecticidal potential against Aphis craccivora Koch and Planococcus lilacinus (Cockerell). Pesticide biochemistry and physiology. 2024 Jan; 198(?):105720. doi: 10.1016/j.pestbp.2023.105720. [PMID: 38225075]
  • Wenna Shao, Xinzhao Wang, Zhaoyun Liu, Xiang Song, Fukai Wang, Xiaoyu Liu, Zhiyong Yu. Cyperotundone combined with adriamycin induces apoptosis in MCF-7 and MCF-7/ADR cancer cells by ROS generation and NRF2/ARE signaling pathway. Scientific reports. 2023 Jan; 13(1):1384. doi: 10.1038/s41598-022-26767-x. [PMID: 36697441]
  • Yong Joo Park, Hailing Zheng, Jong Hwan Kwak, Kyu Hyuck Chung. Sesquiterpenes from Cyperus rotundus and 4α,5α-oxidoeudesm-11-en-3-one as a potential selective estrogen receptor modulator. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2019 Jan; 109(?):1313-1318. doi: 10.1016/j.biopha.2018.10.186. [PMID: 30551381]
  • Nor Akmalazura Jani, Hasnah Mohd Sirat, Farediah Ahmad, Nor Azah Mohamad Ali, Mailina Jamil. Chemical profiling and biological properties of Neolitsea kedahense Gamble essential oils. Natural product research. 2017 Dec; 31(23):2793-2796. doi: 10.1080/14786419.2017.1294172. [PMID: 28278643]
  • Karyme S S Vilhena, Giselle Maria Skelding Pinheiro Guilhon, Maria das Graças B Zoghbi, Lourivaldo Silva Santos, Antonio Pedro Silva Souza Filho. Chemical investigation of Cyperus distans L. and inhibitory activity of scabequinone in seed germination and seedling growth bioassays. Natural product research. 2014; 28(23):2128-33. doi: 10.1080/14786419.2014.925891. [PMID: 24941231]
  • Carmen M Martín-Navarro, Atteneri López-Arencibia, Jacob Lorenzo-Morales, Sandra Oramas-Royo, Rita Hernández-Molina, Ana Estévez-Braun, Angel G Ravelo, Basilio Valladares, José E Piñero. Acanthamoeba castellanii Neff: In vitro activity against the trophozoite stage of a natural sesquiterpene and a synthetic cobalt(II)-lapachol complex. Experimental parasitology. 2010 Sep; 126(1):106-8. doi: 10.1016/j.exppara.2009.12.015. [PMID: 20045692]
  • Yan Xu, Hong-Wu Zhang, Xiao-Chun Wan, Zhong-Mei Zou. Complete assignments of (1)H and (13)C NMR data for two new sesquiterpenes from Cyperus rotundus L. Magnetic resonance in chemistry : MRC. 2009 Jun; 47(6):527-31. doi: 10.1002/mrc.2416. [PMID: 19288546]