Neochlorogenic acid (BioDeep_00000000106)

 

Secondary id: BioDeep_00000017236, BioDeep_00000402723

human metabolite PANOMIX_OTCML-2023 blood metabolite natural product


代谢物信息卡片


(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

化学式: C16H18O9 (354.0951)
中文名称: 新绿原酸
谱图信息: 最多检出来源 Viridiplantae(plant) 19.25%

Reviewed

Last reviewed on 2024-07-17.

Cite this Page

Neochlorogenic acid. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/neochlorogenic_acid (retrieved 2024-12-23) (BioDeep RN: BioDeep_00000000106). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+

描述信息

Constituent of coffee and many other plants. First isolated from peaches (Prunus persica). trans-Neochlorogenic acid is found in coffee and coffee products, fruits, and pear.
[Raw Data] CBA73_Neochlorogenic-_neg_50eV.txt
[Raw Data] CBA73_Neochlorogenic-_neg_20eV.txt
[Raw Data] CBA73_Neochlorogenic-_pos_40eV.txt
[Raw Data] CBA73_Neochlorogenic-_pos_20eV.txt
[Raw Data] CBA73_Neochlorogenic-_neg_10eV.txt
[Raw Data] CBA73_Neochlorogenic-_pos_50eV.txt
[Raw Data] CBA73_Neochlorogenic-_neg_40eV.txt
[Raw Data] CBA73_Neochlorogenic-_neg_30eV.txt
[Raw Data] CBA73_Neochlorogenic-_pos_10eV.txt
[Raw Data] CBA73_Neochlorogenic-_pos_30eV.txt

Neochlorogenic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=906-33-2 (retrieved 2024-07-17) (CAS RN: 906-33-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.
Neochlorogenic acid is a natural polyphenolic compound found in dried fruits and other plants. Neochlorogenic acid inhibits the production of TNF-α and IL-1β. Neochlorogenic acid suppresses iNOS and COX-2 protein expression. Neochlorogenic acid also inhibits phosphorylated NF-κB p65 and p38 MAPK activation.

同义名列表

17 个代谢物同义名

(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate; trans-5-O-caffeoyl-D-quinic acid; trans-5-O-caffeoyl-D-quinate; trans-Neochlorogenic acid; 5-O-caffeoylquinic acid; 5-Caffeoylquinic acid; trans-Neochlorogenate; Caffeoyl quinic acid; Neochlorogenic acid; caffeoylquinic acid; 5-Caffeoylquinate; Caffeoyl quinate; Neochlorogenate; trans-5-O-Caffeoylquinic acid; Neochlorogenic acid



数据库引用编号

25 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)

353 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 13 AKT1, ANXA5, BCL2, CASP3, CASP9, MAPK14, MAPK8, NFE2L2, NOS2, PIK3CA, PRKAA2, PTGS2, TYR
Peripheral membrane protein 3 ANXA5, GORASP1, PTGS2
Endoplasmic reticulum membrane 3 BCL2, HMOX1, PTGS2
Nucleus 10 AKT1, BCL2, CASP3, CASP9, HMOX1, MAPK14, MAPK8, NFE2L2, NOS2, PRKAA2
cytosol 13 AKT1, ANXA5, BCL2, CASP3, CASP9, HMOX1, LIPE, MAPK14, MAPK8, NFE2L2, NOS2, PIK3CA, PRKAA2
dendrite 1 PRKAA2
centrosome 1 NFE2L2
nucleoplasm 8 AKT1, CASP3, HMOX1, MAPK14, MAPK8, NFE2L2, NOS2, PRKAA2
RNA polymerase II transcription regulator complex 1 NFE2L2
Cell membrane 3 AKT1, LIPE, TNF
Cytoplasmic side 2 GORASP1, HMOX1
lamellipodium 2 AKT1, PIK3CA
Golgi apparatus membrane 1 GORASP1
Synapse 1 MAPK8
cell cortex 1 AKT1
cell surface 1 TNF
glutamatergic synapse 3 AKT1, CASP3, MAPK14
Golgi apparatus 4 GORASP1, NFE2L2, PRKAA2, SI
Golgi membrane 2 GORASP1, INS
neuronal cell body 3 CASP3, PRKAA2, TNF
postsynapse 1 AKT1
sarcolemma 1 ANXA5
Cytoplasm, cytosol 3 LIPE, NFE2L2, NOS2
Lysosome 1 TYR
plasma membrane 6 AKT1, NFE2L2, NOS2, PIK3CA, SI, TNF
Membrane 7 AKT1, ANXA5, BCL2, HMOX1, LIPE, PRKAA2, SI
apical plasma membrane 1 SI
axon 2 MAPK8, PRKAA2
brush border 1 SI
caveola 2 LIPE, PTGS2
extracellular exosome 2 ANXA5, SI
endoplasmic reticulum 3 BCL2, HMOX1, PTGS2
extracellular space 4 HMOX1, IL6, INS, TNF
perinuclear region of cytoplasm 4 HMOX1, NOS2, PIK3CA, TYR
intercalated disc 1 PIK3CA
mitochondrion 3 BCL2, CASP9, MAPK14
protein-containing complex 4 AKT1, BCL2, CASP9, PTGS2
intracellular membrane-bounded organelle 1 TYR
Microsome membrane 1 PTGS2
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 TYR
Secreted 2 IL6, INS
extracellular region 5 ANXA5, IL6, INS, MAPK14, TNF
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 1 BCL2
mitochondrial outer membrane 2 BCL2, HMOX1
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
external side of plasma membrane 2 ANXA5, TNF
microtubule cytoskeleton 1 AKT1
Melanosome membrane 1 TYR
Cytoplasm, P-body 1 NOS2
P-body 1 NOS2
cell-cell junction 1 AKT1
Golgi-associated vesicle 1 TYR
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
vesicle 1 AKT1
Cytoplasm, perinuclear region 1 NOS2
Membrane raft 1 TNF
pore complex 1 BCL2
focal adhesion 1 ANXA5
spindle 1 AKT1
cis-Golgi network 1 GORASP1
Peroxisome 1 NOS2
peroxisomal matrix 1 NOS2
Mitochondrion intermembrane space 1 AKT1
mitochondrial intermembrane space 1 AKT1
collagen-containing extracellular matrix 1 ANXA5
nuclear speck 2 MAPK14, PRKAA2
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
Zymogen granule membrane 1 ANXA5
neuron projection 1 PTGS2
ciliary basal body 1 AKT1
chromatin 1 NFE2L2
mediator complex 1 NFE2L2
phagocytic cup 1 TNF
spindle pole 1 MAPK14
endosome lumen 1 INS
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
Melanosome 1 TYR
cytoplasmic stress granule 1 PRKAA2
myelin sheath 1 BCL2
ficolin-1-rich granule lumen 1 MAPK14
secretory granule lumen 2 INS, MAPK14
Golgi lumen 1 INS
endoplasmic reticulum lumen 3 IL6, INS, PTGS2
phosphatidylinositol 3-kinase complex 1 PIK3CA
phosphatidylinositol 3-kinase complex, class IA 1 PIK3CA
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 2 GORASP1, INS
Golgi apparatus, cis-Golgi network membrane 1 GORASP1
Single-pass type IV membrane protein 1 HMOX1
apoptosome 1 CASP9
vesicle membrane 1 ANXA5
protein-DNA complex 1 NFE2L2
basal dendrite 1 MAPK8
death-inducing signaling complex 1 CASP3
nucleotide-activated protein kinase complex 1 PRKAA2
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
cortical cytoskeleton 1 NOS2
interleukin-6 receptor complex 1 IL6
endothelial microparticle 1 ANXA5
BAD-BCL-2 complex 1 BCL2
phosphatidylinositol 3-kinase complex, class IB 1 PIK3CA
caspase complex 1 CASP9
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

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  • Juan Tang, Qing Zhang, Dan Wu, Si-Ying Chen, Yi Chen, Yue-Ting Li, Lin Zheng, Yong Huang, Yan-Yu Lan, Yong-Lin Wang, Zi-Peng Gong. [Potential pharmacodynamic substances of Laportea bulbifera in treatment of rheumatoid arthritis based on serum pharmacochemistry and pharmacology]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2022 Sep; 47(17):4755-4764. doi: 10.19540/j.cnki.cjcmm.20220609.201. [PMID: 36164883]
  • Tsung-Yuan Yang, Yi-Liang Wu, Meng-Hsun Yu, Tung-Wei Hung, Kuei-Chuan Chan, Chau-Jong Wang. Mulberry Leaf and Neochlorogenic Acid Alleviates Glucolipotoxicity-Induced Oxidative Stress and Inhibits Proliferation/Migration via Downregulating Ras and FAK Signaling Pathway in Vascular Smooth Muscle Cell. Nutrients. 2022 Jul; 14(15):. doi: 10.3390/nu14153006. [PMID: 35893859]
  • Meng-Hsun Yu, Tung-Wei Hung, Chi-Chih Wang, Sheng-Wen Wu, Tzu-Wei Yang, Ching-Yu Yang, Tsui-Hwa Tseng, Chau-Jong Wang. Neochlorogenic Acid Attenuates Hepatic Lipid Accumulation and Inflammation via Regulating miR-34a In Vitro. International journal of molecular sciences. 2021 Dec; 22(23):. doi: 10.3390/ijms222313163. [PMID: 34884968]
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  • Monika Kalinowska, Ewelina Bajko, Marzena Matejczyk, Piotr Kaczyński, Bożena Łozowicka, Włodzimierz Lewandowski. The Study of Anti-/Pro-Oxidant, Lipophilic, Microbial and Spectroscopic Properties of New Alkali Metal Salts of 5-O-Caffeoylquinic Acid. International journal of molecular sciences. 2018 Feb; 19(2):. doi: 10.3390/ijms19020463. [PMID: 29401704]
  • Przemysław Sitarek, Tomasz Kowalczyk, Patricia Rijo, Adam J Białas, Marzena Wielanek, Halina Wysokińska, Catarina Garcia, Monika Toma, Tomasz Śliwiński, Ewa Skała. Over-Expression of AtPAP1 Transcriptional Factor Enhances Phenolic Acid Production in Transgenic Roots of Leonurus sibiricus L. and Their Biological Activities. Molecular biotechnology. 2018 Jan; 60(1):74-82. doi: 10.1007/s12033-017-0048-1. [PMID: 29196986]
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