计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
有货
为什么选择此级别
Moligand™ 级 提供 ≥96% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,避光,充氩。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 74 篇同行评审文献引用。
概述
鞣花酸是在多种水果和蔬菜中天然生成的酚酸类次级植物代谢物，通常存在于绿茶、石榴、草莓、树莓和核桃中。
Ellagic acid is a naturally occurring phenolic acid in many fruits and vegetables, as a secondary plant metabolite.It is commonly found in green tea, pomegranate, strawberries, blackberries, raspberries, and walnuts.
规格
别名
棓原 | 逆没食子酸 | 2,3,7,8-四羟基-[1]-苯并吡喃并[5,4,3-cde][1]苯并吡喃-5,10-二酮 | 4,4′,5,5′,6,6′-六氢二苯二甲酸2,6,2′,6′-二内酯
英文别名
BBL009292 | NSC 656272 | TNP00132 | Acidum ellagicum [INN-Latin] | BRN 0047549 | Ellagicacid | ellagic-acid | Oprea1_032884 | 2,3,7,8-tetrahydroxychromeno(5,4,3-cde)chromene-5,10-dione | Benzoarate | Benzoaric acid | Ellagsaeure | Llagate | SCHEMBL20429 |
规格或纯度
Moligand™, ≥96%
英文名称
Ellagic acid
生化机理
常见的植物多酚，谷胱甘肽 S 转移酶的抑制剂。 用于检测血浆中的 XIIa 因子。具有选择性、ATP 竞争性酪蛋白激酶 2 (CK2) 抑制剂（K i = 20 nM）。具有多种生物活性，包括抗氧化、抗增殖和促凋亡活性。
储存条件
2-8°C储存,避光,充氩
运输条件
低温运输
备注
如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。
纯度
≥96%
名称和识别符
PubChem SID
EC号
207-508-3
分子类型
小分子
IUPAC Name
6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
INCHI
1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChi Key
AFSDNFLWKVMVRB-UHFFFAOYSA-N
Smiles
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
Isomeric SMILES
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
分子量
302.19
Beilstein号
47549
Reaxy-Rn
47549
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47549&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯丙素类和聚酮类 |
| 类（Class) | 单宁 |
| 亚类（Subclass） | 水解单宁 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 水解单宁 |
| 其他上位类（Alternative Parents） | 鞣花酸及其衍生物 7,8-二羟基香豆素 异香豆素及其衍生物 2-苯并吡喃 1-苯并吡喃 吡喃酮及其衍生物 1-羟基-2-未取代苯类化合物 杂芳族化合物 内酯 多元醇 氧环化合物 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 1-苯并吡喃 - 1-羟基-2-未取代苯环化合物 - 2-苯并吡喃 - 7,8-二羟基香豆素 - 芳香族杂多环化合物 - 苯基化合物 - 苯并吡喃 - 香豆素 - 鞣花酸 - 杂芳香族化合物 - 烃衍生物 - 可水解单宁 - 异香豆素 - L-α-氨基酸 - 有机氧化物 - 有机氧化合物 - 有机杂环化合物 - 有机氧化合物 - 氧杂环 - 多醇 - 吡喃 - 吡喃酮 |
| 描述（Description） | 该化合物属于可水解单宁类有机化合物。这类单宁具有以下任一结构模型特征：模型1中，结构包含没食子酰基单元（某些情况下为香草酸单元），这些单元连接于多种多元醇碳水化合物、儿茶素或三萜类单元。模型2中，至少含有两个通过C-C键相互连接的没食子酰基单元，且不含糖苷键连接的儿茶素单元。 |
| 外部描述符（External Descriptors） | Ellagitannins |
三维结构
交互式化学结构模型
关联靶点（人）
GPR35
Tchem
G蛋白偶联受体35(G-protein coupled receptor 35)
(1 活性数据)
ELAVL3
Tchem
类禽流感病毒蛋白 3(ELAV-like protein 3)
(1 活性数据)
CSNK2A1
Tchem
酪蛋白激酶 II 亚基 α(Casein kinase II subunit alpha)
(1 活性数据)
POLH
Tchem
DNA聚合酶(DNA polymerase eta)
(1 活性数据)
SLC22A6
Tclin
溶质载体家族 22 成员 6(Solute carrier family 22 member 6)
(1 活性数据)
HSPA1A
Tchem
热休克 70 kDa 蛋白 1A(Heat shock 70 kDa protein 1A)
(1 活性数据)
SMAD3
Tchem
母亲反对 decapentaplegic 同源物 3(Mothers against decapentaplegic homolog 3)
(1 活性数据)
POLI
Tchem
DNA聚合酶iota(DNA polymerase iota)
(1 活性数据)
AKR1B1
Tclin
醛糖还原酶(Aldose reductase)
(1 活性数据)
GALNT2
Tchem
多肽N-乙酰半乳糖氨基转移酶2(Polypeptide N-acetylgalactosaminyltransferase 2)
(2 活性数据)
EGFR
Tclin
Epidermal growth factor receptor erbB1
(33727 活性数据)
CA2
Tclin
Carbonic anhydrase II
(17698 活性数据)
INSR
Tclin
Insulin receptor
(5558 活性数据)
VDR
Tclin
Vitamin D receptor
(26531 活性数据)
ACE
Tclin
Angiotensin-converting enzyme
(1423 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
ERBB2
Tclin
Receptor protein-tyrosine kinase erbB-2
(7851 活性数据)
PDGFRB
Tclin
Platelet-derived growth factor receptor beta
(5195 活性数据)
IGF1R
Tclin
Insulin-like growth factor I receptor
(8605 活性数据)
AKR1B1
Tclin
Aldose reductase
(1404 活性数据)
THRB
Tclin
Thyroid hormone receptor beta-1
(7926 活性数据)
CSNK2A1
Tchem
Casein kinase II alpha
(3512 活性数据)
CA3
Tclin
Carbonic anhydrase III
(753 活性数据)
CA6
Tclin
Carbonic anhydrase VI
(993 活性数据)
CA1
Tclin
Carbonic anhydrase I
(13240 活性数据)
GSK3B
Tclin
Glycogen synthase kinase-3 beta
(11785 活性数据)
MIF
Tchem
Macrophage migration inhibitory factor
(979 活性数据)
POLB
Tchem
DNA polymerase beta
(23632 活性数据)
ALDOA
Tbio
Fructose-bisphosphate aldolase A
(1 活性数据)
SRC
Tclin
Tyrosine-protein kinase SRC
(10310 活性数据)
APP
Tclin
Amyloid-beta A4 protein
(8510 活性数据)
IKBKB
Tchem
Inhibitor of nuclear factor kappa B kinase beta subunit
(5554 活性数据)
AURKB
Tchem
Serine/threonine-protein kinase Aurora-B
(6805 活性数据)
CSK
Tchem
Tyrosine-protein kinase CSK
(2395 活性数据)
SYK
Tclin
Tyrosine-protein kinase SYK
(7372 活性数据)
PLK1
Tchem
Serine/threonine-protein kinase PLK1
(28605 活性数据)
ALOX15B
Tchem
Arachidonate 15-lipoxygenase, type II
(7244 活性数据)
GAA
Tclin
Lysosomal alpha-glucosidase
(35701 活性数据)
KDR
Tclin
Vascular endothelial growth factor receptor 2
(20924 活性数据)
CA5B
Tclin
Carbonic anhydrase VB
(957 活性数据)
CA5A
Tclin
Carbonic anhydrase VA
(1168 活性数据)
CA14
Tclin
Carbonic anhydrase XIV
(1305 活性数据)
DUSP3
Tchem
Dual specificity protein phosphatase 3
(1161 活性数据)
PTK2
Tclin
Focal adhesion kinase 1
(4730 活性数据)
GSTP1
Tchem
Glutathione S-transferase Pi
(449 活性数据)
MET
Tclin
Hepatocyte growth factor receptor
(10718 活性数据)
HBB
Tbio
Hemoglobin beta chain
(329 活性数据)
EPHX2
Tchem
Epoxide hydratase
(3844 活性数据)
FLT4
Tclin
Vascular endothelial growth factor receptor 3
(3216 活性数据)
GAPDH
Tchem
Glyceraldehyde-3-phosphate dehydrogenase liver
(1284 活性数据)
LYN
Tclin
Tyrosine-protein kinase Lyn
(4251 活性数据)
SPHK1
Tchem
Sphingosine kinase 1
(1990 活性数据)
TOP2B
Tclin
DNA topoisomerase II beta
(959 活性数据)
ALOX15
Tchem
Arachidonate 15-lipoxygenase
(7108 活性数据)
DYRK1A
Tchem
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
(6484 活性数据)
CA12
Tclin
Carbonic anhydrase XII
(6231 活性数据)
BACE1
Tchem
Beta-secretase 1
(15641 活性数据)
GSR
Tclin
Glutathione reductase
(335 活性数据)
AKT1
Tchem
Serine/threonine-protein kinase AKT
(9192 活性数据)
关联靶点（其它种属）
ERG1
Squalene monooxygenase (20 活性数据)
pol
Human immunodeficiency virus type 1 reverse transcriptase (18245 活性数据)
ampC
Beta-lactamase AmpC (62480 活性数据)
tat
Human immunodeficiency virus type 1 Tat protein (75 活性数据)
Ca7
Carbonic anhydrase VII (3 活性数据)
Cruzipain (33337 活性数据)
Ca13
Carbonic anhydrase XIII (322 活性数据)
CA4
Carbonic anhydrase IV (1713 活性数据)
Mapk1
MAP kinase ERK2 (650 活性数据)
ENTPD1
Ectonucleoside triphosphate diphosphohydrolase 1 (16 活性数据)
Hdac6
Histone deacetylase 6 (222 活性数据)
pol
Human immunodeficiency virus type 1 integrase (9041 活性数据)
Pseudomonas aeruginosa (123386 活性数据)
Ralstonia solanacearum (520 活性数据)
Klebsiella pneumoniae (43867 活性数据)
Salmonella typhimurium (15756 活性数据)
Porphyromonas gingivalis (651 活性数据)
Staphylococcus aureus (210822 活性数据)
Staphylococcus epidermidis (22802 活性数据)
Acinetobacter baumannii (41033 活性数据)
Escherichia coli (133304 活性数据)
Streptococcus mutans (2687 活性数据)
Actinomyces viscosus (309 活性数据)
Plasmodium falciparum (966862 活性数据)
Cryptococcus neoformans (21258 活性数据)
Candida albicans (78123 活性数据)
Plasmodium berghei (192651 活性数据)
Caenorhabditis elegans (1055 活性数据)
Mus musculus (284745 活性数据)
Stenotrophomonas maltophilia (1743 活性数据)
3T3-L1 (3664 活性数据)
B16 (5829 活性数据)
RAW264.7 (28094 活性数据)
Vero (26788 活性数据)
L6 (7924 活性数据)
Salmon testes DNA (254 活性数据)
TRXR
Thioredoxin reductase (20 活性数据)
lef
Anthrax lethal factor (7585 活性数据)
GCN5
Histone acetyltransferase GCN5 (89 活性数据)
Dusp6
Dual specificity protein phosphatase 6 (459 活性数据)
Carm1
Histone-arginine methyltransferase CARM1 (53 活性数据)
Luciferin 4-monooxygenase (66902 活性数据)
rep
Replicase polyprotein 1ab (378 活性数据)
Slc22a6
Solute carrier family 22 member 6 (141 活性数据)
pfk
6-phospho-1-fructokinase (7870 活性数据)
BCHE
Cholinesterase (8742 活性数据)
Pectobacterium carotovorum (295 活性数据)
Plasmodium vinckei petteri (380 活性数据)
Prevotella intermedia (369 活性数据)
Eif4e
Eukaryotic translation initiation factor 4E (654 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
Slightly soluble in water. Soluble in 1M sodium hydroxide (10 mg/ml), EtOH, and pyridine.
密度
1.667
敏感性
对空气敏感，对光敏感，对湿度敏感
熔点
360°C
分子量
302.190 g/mol
XLogP3
1.100
氢键供体数Hydrogen Bond Donor Count
4
氢键受体数Hydrogen Bond Acceptor Count
8
可旋转键计数Rotatable Bond Count
0
精确质量Exact Mass
302.006 Da
单同位素质量Monoisotopic Mass
302.006 Da
拓扑极表面积Topological Polar Surface Area
134.000 Ų
重原子数Heavy Atom Count
22
形式电荷Formal Charge
0
复杂度Complexity
475.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
象形图
信号词
警告
危险声明
H315: 引起皮肤刺激
H319: 引起严重眼睛刺激
H335: 可能引起呼吸道刺激
预防措施声明
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P264: 处理后要彻底洗手。
P271: 仅在室外或通风良好的地方使用。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P321: 特殊处理（请参阅此标签上的...）。
P302+P352: 如皮肤沾染：用水充分清洗。
P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P501: 将内容物/容器处理到。。。
P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。
P337+P317: 如果眼睛刺激持续：寻求医疗帮助。
P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。
P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany
3
RTECS
DJ2620000
Merck Index
3547
个人防护装备
dust mask type N95 (US),Eyeshields,Gloves
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技术文档和文章
此产品的引用文献
引用文献
| 1. Shuaijun Lu, Hailong Tian, Bowen Li, Lei Li, Hao Jiang, Yajie Gao, Lin Zheng, Canhua Huang, Yuping Zhou, Zhongyan Du, Jia Xu. (2023) An Ellagic Acid Coordinated Copper-Based Nanoplatform for Efficiently Overcoming Cancer Chemoresistance by Cuproptosis and Synergistic Inhibition of Cancer Cell Stemness. Small, [PMID:38044295] [10.1002/smll.202309215] |
| 2. Edidiong Joseph Bassey, Jun-Hu Cheng, Da-Wen Sun. (2023) Comparative elucidation of bioactive and antioxidant properties of red dragon fruit peel as affected by electromagnetic and conventional drying approaches. FOOD CHEMISTRY, [PMID:38109834] [10.1016/j.foodchem.2023.138118] |
| 3. Sadia Munir, Wei Yue, Jinling Li, Xiaoyue Yu, Tianhao Ying, Ru Liu, Juan You, Shanbai Xiong, Yang Hu. (2023) Effects of Phenolics on the Physicochemical and Structural Properties of Collagen Hydrogel. Polymers, 15 (24): (4647). [PMID:38139899] [10.3390/polym15244647] |
| 4. Nan Li, Juan Zheng, Lu-Dan Yu, Yuan-Jun Tong, Xinying Gong, Yu Hou, Guosheng Chen, Jianqiao Xu, Fang Zhu, Gangfeng Ouyang. (2023) Green, mildly synthesized bismuth-based MOF for extraction of polar glucocorticoids in environmental water. JOURNAL OF HAZARDOUS MATERIALS, [PMID:37716268] [10.1016/j.jhazmat.2023.132477] |
| 5. Yuanhang Xiao, Chunhua Wang, Jiajing Zhou, Jianhui Wu, Wei Lin. (2023) Modular design of vegetable polyphenols enables covalent bonding with collagen for eco-leather. INDUSTRIAL CROPS AND PRODUCTS, [10.1016/j.indcrop.2023.117394] |
| 6. Li Si, Zhou Donghui, Zhu Zuoxuan, Tan Xiaoyue, Tang Weiwei, Gong Junbo. (2023) Boosting inhibition performance of natural polyphenols for the prevention of calcium oxalate kidney stones through synergistic cooperativity. Communications Materials, 4 (1): (1-12). [10.1038/s43246-023-00393-0] |
| 7. Hao-Xiang Gao, Nan Chen, Qiang He, Bi Shi, Wei-Cai Zeng. (2023) Effects of structural characteristics of phenolic compounds on oxidation of glycerol trioleate: Action rule and mechanism. FOOD CHEMISTRY, [PMID:37688816] [10.1016/j.foodchem.2023.137361] |
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