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补骨脂二氢黄酮甲醚

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
B117986-20mg
20mg 现货 Stock Image

基本描述

别名 甲基补骨脂黄酮A
英文别名 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-, (2S)- | 4'-Hydroxy-7-methoxy-6-prenylflavanone | CCG-208380 | UNII-VL3EV483SZ | Bavachinin A | 5-18-04-00132 (Beilstein Handbook Reference) | SR-05000002282-2 | B
规格或纯度 分析标准品, ≥98%
英文名称 Bavachinin
运输条件 常规运输
纯度 ≥98%

关联靶点(人)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
U2OS (164939 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HSPA5 Tchem 78 kDa glucose-regulated protein (3319 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Mapk1 MAP kinase ERK2 (650 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BCHE Cholinesterase (8742 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

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

名称和识别符

分子类型 小分子
IIUPAC Name (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
INCHI 1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
InChi Key VOCGSQHKPZSIKB-FQEVSTJZSA-N
Smiles CC(=CCC1=CC2=C(C=C1OC)OC(CC2=O)C3=CC=C(C=C3)O)C
Isomeric SMILES CC(=CCC1=CC2=C(C=C1OC)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C
分子量 338.397
Reaxy-Rn 3629340
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3629340&ln=

化学和物理性质

密度 1.182
分子量 338.400 g/mol
XLogP3 4.400
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 4
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 338.152 Da
单同位素质量Monoisotopic Mass 338.152 Da
拓扑极表面积Topological Polar Surface Area 55.800 Ų
重原子数Heavy Atom Count 25
形式电荷Formal Charge 0
复杂度Complexity 488.000
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 1
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 GHS09
信号词 Warning

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批号(Lot Number) 证书类型 货号
B1623159 分析证书 B117986

引用文献

1. Hiroyuki Haraguchi,Junji Inoue,Yukiyoshi Tamura,Kenji Mizutani.  (2002-09-19)  Antioxidative components of Psoralea corylifolia (Leguminosae)..  Phytotherapy research : PTR,  16  ((6)): (539-544).  [PMID:12237811]
2. Lei Liu,Kang-Ning Liu,Ya-Bin Wen,Han-Wen Zhang,Ya-Xin Lu,Zheng Yin.  (2012-03-27)  Development of a fully automated on-line solid phase extraction and high-performance liquid chromatography with diode array detection method for the pharmacokinetic evaluation of bavachinin: a study on absolute bioavailability and dose proportionality..  Journal of chromatography. B, Analytical technologies in the biomedical and life sciences,  893-894  (21-28).  [PMID:22444438]
3. Seung Woong Lee,Bo Ra Yun,Mi Hwa Kim,Chan Sun Park,Woo Song Lee,Hyun-Mee Oh,Mun-Chual Rho.  (2012-05-11)  Phenolic compounds isolated from Psoralea corylifolia inhibit IL-6-induced STAT3 activation..  Planta medica,  78  ((9)): (903-906).  [PMID:22573369]
4. Xiumin Chen,Yanfang Yang,Yingtao Zhang.  (2013-08-03)  Isobavachalcone and bavachinin from Psoraleae Fructus modulate Aβ42 aggregation process through different mechanisms in vitro..  FEBS letters,  587  ((18)): (2930-2935).  [PMID:23907009]
5. Yan-Bin Zhao,Juan Zhao,Li-Jun Zhang,Run-Gang Shan,Zhen-Zhong Sun,Kai Wang,Jin-Quan Chen,Ji-Xue Mu.  (2019-03-12)  MicroRNA-370 protects against myocardial ischemia/reperfusion injury in mice following sevoflurane anesthetic preconditioning through PLIN5-dependent PPAR signaling pathway..  Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie,  113  (108697-108697).  [PMID:30856533]
6. Ming Hong Lee,Jae Yeon Kim,Jae-Ha Ryu.  (2005-12-06)  Prenylflavones from Psoralea corylifolia inhibit nitric oxide synthase expression through the inhibition of I-kappaB-alpha degradation in activated microglial cells..  Biological & pharmaceutical bulletin,  28  ((12)): (2253-2257).  [PMID:16327160]
7. Manoj Nepal,Hwa Jung Choi,Bo-Yun Choi,Se Lim Kim,Jae-Ha Ryu,Do Hee Kim,Young-Hoon Lee,Yunjo Soh.  (2012-07-05)  Anti-angiogenic and anti-tumor activity of Bavachinin by targeting hypoxia-inducible factor-1α..  European journal of pharmacology,  691  ((1-3)): (28-37).  [PMID:22760073]
8. Jianmei Luo,Qikun Liang,Yanbing Shen,Xi Chen,Zhinan Yin,Min Wang.  (2013-09-10)  Biotransformation of bavachinin by three fungal cell cultures..  Journal of bioscience and bioengineering,  117  ((2)): (191-196).  [PMID:24012108]

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