RD4-2174 (BioDeep_00000000716)

   

PANOMIX_OTCML-2023


代谢物信息卡片


[(1S,4S,5S,6R,9S,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate

化学式: C34H36O7 (556.2461)
中文名称: 巨大戟醇-3,20-二苯甲酸酯, 3,20-二苯甲酸酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 90.91%

分子结构信息

SMILES: CC1=CC23C(=O)C(C=C(COC(=O)c4ccccc4)C(O)C2(O)C1OC(=O)c1ccccc1)C1C(CC3C)C1(C)C
InChI: InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33+,34+/m1/s1

描述信息

Ingenol 3,20-dibenzoate is a benzoate ester.
Ingenol 3,20-dibenzoate is a potent protein kinase C (PKC) isoform-selective agonist. Ingenol 3,20-dibenzoate induces selective translocation of nPKC-delta, -epsilon, and -theta and PKC-mu from the cytosolic fraction to the particulate fraction and induces morphologically typical apoptosis through de novo synthesis of macromolecules. Ingenol 3,20-dibenzoate increases the IFN-γ production and degranulation by NK cells, especially when NK cells are stimulated by NSCLC cells[1][2].
Ingenol 3,20-dibenzoate is a potent protein kinase C (PKC) isoform-selective agonist. Ingenol 3,20-dibenzoate induces selective translocation of nPKC-delta, -epsilon, and -theta and PKC-mu from the cytosolic fraction to the particulate fraction and induces morphologically typical apoptosis through de novo synthesis of macromolecules. Ingenol 3,20-dibenzoate increases the IFN-γ production and degranulation by NK cells, especially when NK cells are stimulated by NSCLC cells[1][2].

同义名列表

11 个代谢物同义名

[(1S,4S,5S,6R,9S,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate; 5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-(phenylcarbonyloxymethyl)tetracyclo[7.5.1.0<1,5>.0<10,12>]pentadeca-2,7-dien-4-yl benzoate; (benzoyloxy-dihydroxy-tetramethyl-oxo-[?]yl)methyl benzoate; Ingenol 3,20-dibenzoate; Ingenol-3,20-dibenzoate; ingenol dibenzoate; AC1L9C5N; RD4-2174; (+)-Ingenol 3,20-dibenzoate; LSM-4445; Ingenol 3,20-dibenzoate



数据库引用编号

14 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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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)

2 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 9 ANXA5, CASP3, CD34, CYP2E1, HDAC1, HDAC9, MAPK3, NFKB1, PRKCE
Peripheral membrane protein 2 ANXA5, CYP2E1
Endoplasmic reticulum membrane 2 CD4, CYP2E1
Nucleus 7 CASP3, HDAC1, HDAC9, JUND, MAPK3, NFKB1, PRKCE
cytosol 8 ANXA5, CASP3, DIABLO, HDAC1, MAPK3, NFKB1, PRKCE, PRKCQ
dendrite 1 PNOC
nucleoplasm 6 CASP3, HDAC1, HDAC9, JUND, MAPK3, NFKB1
RNA polymerase II transcription regulator complex 1 JUND
Cell membrane 5 CD4, CD9, EPOR, PRKCE, TNF
Multi-pass membrane protein 1 CD9
Synapse 2 PNOC, PRKCE
cell surface 2 EPO, TNF
glutamatergic synapse 2 CASP3, MAPK3
Golgi apparatus 2 MAPK3, PRKCE
mitochondrial inner membrane 1 CYP2E1
neuronal cell body 4 CASP3, HDAC1, PNOC, TNF
sarcolemma 1 ANXA5
Cytoplasm, cytosol 1 DIABLO
Lysosome 1 CD34
plasma membrane 9 CD34, CD4, CD9, EPOR, MAPK3, PNOC, PRKCE, PRKCQ, TNF
Membrane 5 ANXA5, CD34, CD9, DIABLO, EPOR
apical plasma membrane 1 CD34
caveola 1 MAPK3
extracellular exosome 3 ANXA5, CD9, EPO
endoplasmic reticulum 1 PRKCE
extracellular space 5 CD9, EPO, IL17A, IL5, TNF
perinuclear region of cytoplasm 2 CD34, PRKCE
mitochondrion 4 DIABLO, MAPK3, NFKB1, PRKCE
protein-containing complex 2 CD9, HDAC1
intracellular membrane-bounded organelle 2 CYP2E1, PRKCE
Microsome membrane 1 CYP2E1
postsynaptic density 1 CASP3
Single-pass type I membrane protein 3 CD34, CD4, EPOR
Secreted 4 EPO, IL17A, IL5, PNOC
extracellular region 10 ANXA5, CD34, CD9, EPO, EPOR, IL17A, IL5, NFKB1, PNOC, TNF
cytoplasmic side of plasma membrane 1 DIABLO
Single-pass membrane protein 1 EPOR
transcription regulator complex 3 HDAC9, JUND, NFKB1
centriolar satellite 1 PRKCQ
CD40 receptor complex 1 DIABLO
external side of plasma membrane 7 ANXA5, CD34, CD4, CD9, EPOR, IL17A, TNF
Extracellular vesicle 1 CD9
Early endosome 2 CD4, MAPK3
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Cytoplasm, perinuclear region 1 PRKCE
Mitochondrion inner membrane 1 CYP2E1
heterochromatin 1 HDAC1
Membrane raft 2 CD4, TNF
Cell junction, focal adhesion 1 MAPK3
Cytoplasm, cytoskeleton 1 PRKCE
focal adhesion 3 ANXA5, CD9, MAPK3
mitochondrial intermembrane space 1 DIABLO
collagen-containing extracellular matrix 1 ANXA5
nuclear speck 1 EPOR
Late endosome 1 MAPK3
Zymogen granule membrane 1 ANXA5
chromatin 3 HDAC1, JUND, NFKB1
phagocytic cup 1 TNF
cell periphery 1 PRKCE
cytoskeleton 1 MAPK3
intercellular bridge 1 CD34
nuclear envelope 1 MAPK3
Membrane, caveola 1 MAPK3
cell body 1 EPO
pseudopodium 1 MAPK3
intermediate filament cytoskeleton 1 PRKCE
basal plasma membrane 1 CD34
synaptic membrane 1 PNOC
secretory granule lumen 2 EPO, NFKB1
endoplasmic reticulum lumen 2 CD4, MAPK3
histone methyltransferase complex 1 HDAC9
transcription repressor complex 2 HDAC1, JUND
axon terminus 1 PNOC
specific granule lumen 1 NFKB1
endocytic vesicle membrane 1 CD9
histone deacetylase complex 2 HDAC1, HDAC9
Secreted, extracellular exosome 1 CD9
NuRD complex 1 HDAC1
immunological synapse 1 PRKCQ
aggresome 1 PRKCQ
vesicle membrane 1 ANXA5
clathrin-coated endocytic vesicle membrane 2 CD4, CD9
Sin3-type complex 1 HDAC1
death-inducing signaling complex 1 CASP3
platelet alpha granule membrane 1 CD9
transcription factor AP-1 complex 1 JUND
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
T cell receptor complex 1 CD4
endothelial microparticle 1 ANXA5
[Isoform EPOR-S]: Secreted 1 EPOR
[Nuclear factor NF-kappa-B p105 subunit]: Cytoplasm 1 NFKB1
[Nuclear factor NF-kappa-B p50 subunit]: Nucleus 1 NFKB1
I-kappaB/NF-kappaB complex 1 NFKB1
NF-kappaB p50/p65 complex 1 NFKB1
glomerular endothelium fenestra 1 CD34
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

  • Qiang Jiang, Kai Li, Wen-Jing Lu, Shuang Li, Xin Chen, Xi-Juan Liu, Jie Yuan, Qiurong Ding, Feng Lan, Shi-Qing Cai. Identification of small-molecule ion channel modulators in C. elegans channelopathy models. Nature communications. 2018 09; 9(1):3941. doi: 10.1038/s41467-018-06514-5. [PMID: 30258187]
  • Chenyuan Gong, Chao Yao, Zihang Xu, Zhongya Ni, Xiaowen Zhu, Lixin Wang, Xuewei Yan, Wuxiong Zhou, Shiguo Zhu. Enhancement of NK cell-mediated lysis of non-small lung cancer cells by nPKC activator, ingenol 3,20 dibenzoate. Molecular immunology. 2017 03; 83(?):23-32. doi: 10.1016/j.molimm.2017.01.012. [PMID: 28092804]
  • D P Poole, S Amadesi, E Rozengurt, M Thacker, N W Bunnett, J B Furness. Stimulation of the neurokinin 3 receptor activates protein kinase C epsilon and protein kinase D in enteric neurons. American journal of physiology. Gastrointestinal and liver physiology. 2008 May; 294(5):G1245-56. doi: 10.1152/ajpgi.00521.2007. [PMID: 18308856]
  • Daniel P Poole, Hayato Matsuyama, Trung V Nguyen, Emily M Y Eriksson, Christopher J Fowler, John B Furness. Inflammation and inflammatory agents activate protein kinase C epsilon translocation and excite guinea-pig submucosal neurons. Gastroenterology. 2007 Oct; 133(4):1229-39. doi: 10.1053/j.gastro.2007.07.002. [PMID: 17765238]