LDR cpd (BioDeep_00000000215)

   

PANOMIX_OTCML-2023


代谢物信息卡片


(1S,4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one

化学式: C15H16O4 (260.1049)
中文名称: 乌药醚内酯, （1S，12S，13S）-5,10-二甲基-8,14,16-三氧杂四环[10.2.2.01,13.07,11]十六烷-4,7（11），9-三烯-15-酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 66.67%

分子结构信息

SMILES: C/C/1=C\CC[C@]23[C@H]([C@H](c4c(C)coc4C1)OC2=O)O3
InChI: InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1

描述信息

Linderane is a member of dioxanes.
Linderane is a natural product found in Cryptocarya densiflora, Neolitsea villosa, and other organisms with data available.
Linderane, isolated from the root of Lindera aggregata, is an irreversible inhibitor cytochrome P450 2C9 (CYP2C9). Linderane has the potential to relieve pain and cramp[1].
Linderane, isolated from the root of Lindera aggregata, is an irreversible inhibitor cytochrome P450 2C9 (CYP2C9). Linderane has the potential to relieve pain and cramp[1].

同义名列表

6 个代谢物同义名

(1S,4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one; (1S,4Z,12S,13S)-5,10-Dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one; Linderane; LDR cpd; Linderane; (1S,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one



数据库引用编号

19 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)

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 12 AHR, ARNT, BCL2, CAT, CYP2C9, MAPK14, MAPK8, NLRP3, NOS2, PTGS2, STAT3, TLR4
Peripheral membrane protein 2 GORASP1, PTGS2
Endosome membrane 1 TLR4
Endoplasmic reticulum membrane 4 BCL2, CYP2C9, HMOX1, PTGS2
Nucleus 11 AHR, ARNT, BCL2, GABPA, HMOX1, JUN, MAPK14, MAPK8, NLRP3, NOS2, STAT3
cytosol 9 AHR, BCL2, CAT, HMOX1, MAPK14, MAPK8, NLRP3, NOS2, STAT3
nuclear body 1 ARNT
nucleoplasm 9 AHR, ARNT, GABPA, HMOX1, JUN, MAPK14, MAPK8, NOS2, STAT3
RNA polymerase II transcription regulator complex 3 ARNT, JUN, STAT3
Cell membrane 2 TLR4, TNF
Cytoplasmic side 2 GORASP1, HMOX1
Golgi apparatus membrane 2 GORASP1, NLRP3
Synapse 1 MAPK8
cell surface 2 TLR4, TNF
glutamatergic synapse 1 MAPK14
Golgi apparatus 1 GORASP1
Golgi membrane 2 GORASP1, NLRP3
neuronal cell body 1 TNF
Cytoplasm, cytosol 2 NLRP3, NOS2
plasma membrane 5 CYP2C9, NOS2, STAT3, TLR4, TNF
Membrane 5 BCL2, CAT, HMOX1, NLRP3, TLR4
axon 1 MAPK8
caveola 1 PTGS2
extracellular exosome 1 CAT
endoplasmic reticulum 4 BCL2, HMOX1, NLRP3, PTGS2
extracellular space 4 HMOX1, IL4, IL6, TNF
perinuclear region of cytoplasm 3 HMOX1, NOS2, TLR4
mitochondrion 4 BCL2, CAT, MAPK14, NLRP3
protein-containing complex 4 AHR, BCL2, CAT, PTGS2
intracellular membrane-bounded organelle 2 CAT, CYP2C9
Microsome membrane 2 CYP2C9, PTGS2
Single-pass type I membrane protein 1 TLR4
Secreted 3 IL4, IL6, NLRP3
extracellular region 7 CAT, DNAH9, IL4, IL6, MAPK14, NLRP3, TNF
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 1 BCL2
mitochondrial outer membrane 2 BCL2, HMOX1
mitochondrial matrix 1 CAT
transcription regulator complex 4 AHR, ARNT, JUN, STAT3
motile cilium 1 DNAH9
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
external side of plasma membrane 2 TLR4, TNF
Cytoplasm, P-body 1 NOS2
P-body 1 NOS2
Early endosome 1 TLR4
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Cytoplasm, perinuclear region 1 NOS2
Membrane raft 1 TNF
pore complex 1 BCL2
focal adhesion 1 CAT
microtubule 1 DNAH9
cis-Golgi network 1 GORASP1
Peroxisome 2 CAT, NOS2
Peroxisome matrix 1 CAT
peroxisomal matrix 2 CAT, NOS2
peroxisomal membrane 1 CAT
axoneme 1 DNAH9
nuclear speck 1 MAPK14
Cytoplasm, cytoskeleton, microtubule organizing center 1 NLRP3
Inflammasome 1 NLRP3
interphase microtubule organizing center 1 NLRP3
NLRP3 inflammasome complex 1 NLRP3
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
Cell projection, ruffle 1 TLR4
ruffle 1 TLR4
receptor complex 1 TLR4
neuron projection 1 PTGS2
chromatin 5 AHR, ARNT, GABPA, JUN, STAT3
phagocytic cup 2 TLR4, TNF
spindle pole 1 MAPK14
nuclear chromosome 1 JUN
Cytoplasm, cytoskeleton, cilium axoneme 1 DNAH9
Endomembrane system 1 NLRP3
microtubule organizing center 1 NLRP3
aryl hydrocarbon receptor complex 2 AHR, ARNT
euchromatin 1 JUN
myelin sheath 1 BCL2
lipopolysaccharide receptor complex 1 TLR4
ficolin-1-rich granule lumen 2 CAT, MAPK14
secretory granule lumen 2 CAT, MAPK14
endoplasmic reticulum lumen 2 IL6, PTGS2
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 GORASP1
9+2 motile cilium 1 DNAH9
dynein complex 1 DNAH9
Golgi apparatus, cis-Golgi network membrane 1 GORASP1
Single-pass type IV membrane protein 1 HMOX1
basal dendrite 1 MAPK8
transcription factor AP-1 complex 1 JUN
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
cortical cytoskeleton 1 NOS2
catalase complex 1 CAT
interleukin-6 receptor complex 1 IL6
BAD-BCL-2 complex 1 BCL2
nuclear aryl hydrocarbon receptor complex 2 AHR, ARNT
cytosolic aryl hydrocarbon receptor complex 1 AHR
outer dynein arm 1 DNAH9
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF
distal portion of axoneme 1 DNAH9


文献列表

  • Kai Wang, Tingting Zhang, Jinqiu Rao, Ting Peng, Qing Gao, Xinchi Feng, Feng Qiu. Drug-drug interactions induced by Linderane based on mechanism-based inactivation of CYP2C9 and the molecular mechanisms. Bioorganic chemistry. 2022 01; 118(?):105478. doi: 10.1016/j.bioorg.2021.105478. [PMID: 34800885]
  • Haijun Zhang, Chunping Zhu, Zhe Sun, Xiaoguang Yan, Huihui Wang, Haibo Xu, Jiani Ma, Yanrong Zhang. Linderane protects pancreatic β cells from streptozotocin (STZ)-induced oxidative damage. Life sciences. 2019 Sep; 233(?):116732. doi: 10.1016/j.lfs.2019.116732. [PMID: 31394125]
  • Saimijiang Yaermaimaiti, Peng Wang, Jun Luo, Rui-Jun Li, Ling-Yi Kong. Sesquiterpenoids from the seeds of Sarcandra glabra and the potential anti-inflammatory effects. Fitoterapia. 2016 Jun; 111(?):7-11. doi: 10.1016/j.fitote.2016.03.020. [PMID: 27050720]
  • Hui Wang, Kai Wang, Xu Mao, Qingqing Zhang, Tong Yao, Ying Peng, Jiang Zheng. Mechanism-based inactivation of CYP2C9 by linderane. Xenobiotica; the fate of foreign compounds in biological systems. 2015; 45(12):1037-46. doi: 10.3109/00498254.2015.1041002. [PMID: 26068520]
  • Li-She Gan, Yun-Liang Zheng, Jian-Xia Mo, Xin Liu, Xin-Hua Li, Chang-Xin Zhou. Sesquiterpene lactones from the root tubers of Lindera aggregata. Journal of natural products. 2009 Aug; 72(8):1497-501. doi: 10.1021/np900354q. [PMID: 19639966]
  • K L Clay, R C Murphy. On the metabolic acidosis of ethylene glycol intoxication. Toxicology and applied pharmacology. 1977 Jan; 39(1):39-49. doi: 10.1016/0041-008x(77)90175-2. [PMID: 14421]