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Glycitein - 10mM in DMSO, high purity , CAS No.40957-83-3
Basic Description
Synonyms
Glycitein | 40957-83-3 | 7,4'-Dihydroxy-6-methoxyisoflavone | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy- | 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one | 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one | 7-Hydroxy-3-(4-hydroxyphe
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Hydroxyisoflavonoids Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Isoflavonoids
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
INCHI
InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKey
DXYUAIFZCFRPTH-UHFFFAOYSA-N
Smiles
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O
Isomeric SMILES
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O
WGK Germany
3
Molecular Weight
284.26
Reaxy-Rn
1351032
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1351032&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
284.260 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
284.068 Da
Monoisotopic Mass
284.068 Da
Topological Polar Surface Area
76.000 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
424.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Jie Chen, Yishu Ni, Pingjing Zhang, Xianrui Liang, Sheng Fang.
(2023)
Acidic natural deep eutectic solvents as dual solvents and catalysts for the solubilization and deglycosylation of soybean isoflavone extracts: Genistin as a model compound. FOOD CHEMISTRY,
406
(134999).
2.
Jie Zhao, Lin Huang, Renjie Li, Zhuangwei Zhang, Jin Chen, Hongjin Tang.
(2022)
Insights from multi-spectroscopic analysis and molecular modeling to understand the structure–affinity relationship and the interaction mechanism of flavonoids with gliadin. Food & Function,
13
(9):
(5061-5074).
3.
Lei Du, Kum-Song Ro, Yiji Zhang, Ya-Jie Tang, Wanbang Li, Jingli Xie, Dongzhi Wei.
(2022)
Effects of lactiplantibacillus plantarum X7021 on physicochemical properties, purines, isoflavones and volatile compounds of fermented soymilk. PROCESS BIOCHEMISTRY,
113
(150).
4.
Yajing Fang, Fuqiang Liang, Mengmeng Xia, Weiwei Cao, Siyi Pan, Ting Wu, Xiaoyun Xu.
(2021)
Structure-activity relationship and mechanism of flavonoids on the inhibitory activity of P-glycoprotein (P-gp)-mediated transport of rhodamine123 and daunorubicin in P-gp overexpressed human mouth epidermal carcinoma (KB/MDR) cells. FOOD AND CHEMICAL TOXICOLOGY,
155
(112381).
5.
Liuying Zhu, Wenting Li, Zeyuan Deng, Hongyan Li, Bing Zhang.
(2020)
The Composition and Antioxidant Activity of Bound Phenolics in Three Legumes, and Their Metabolism and Bioaccessibility of Gastrointestinal Tract. Foods,
9
(12):
(1816).
6.
Hongjin Tang, Lin Huang, Dongsheng Zhao, Chunyong Sun, Ping Song.
(2020)
Interaction mechanism of flavonoids on bovine serum albumin: Insights from molecular property-binding affinity relationship. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
239
(118519).
7.
Jie Zhao, Lin Huang, Chunyong Sun, Dongsheng Zhao, Hongjin Tang.
(2020)
Studies on the structure-activity relationship and interaction mechanism of flavonoids and xanthine oxidase through enzyme kinetics, spectroscopy methods and molecular simulations. FOOD CHEMISTRY,
323
(126807).
8.
Xianli Gao, Ermeng Liu, Junke Zhang, Mingquan Yang, Sui Chen, Zhan Liu, Haile Ma, Feng Hu.
(2019)
Effects of sonication during moromi fermentation on antioxidant activities of compounds in raw soy sauce. LWT-FOOD SCIENCE AND TECHNOLOGY,
116
(108605).
9.
Xiaonan Zhang, Hongwei Zhang, Xinghao Xia, Nan Pu, Zhuping Yu, Mourtada Nabih, Ying Zhu, Shuang Zhang, Lianzhou Jiang.
(2019)
Preparation and physicochemical characterization of soy isoflavone (SIF) nanoparticles by a liquid antisolvent precipitation method. ADVANCED POWDER TECHNOLOGY,
30
(1522).
10.
Han Peng, Wenting Li, Hongyan Li, Zeyuan Deng, Bing Zhang.
(2017)
Extractable and non-extractable bound phenolic compositions and their antioxidant properties in seed coat and cotyledon of black soybean (Glycinemax (L.) merr). Journal of Functional Foods,
32
(296).
11.
Hui Cao,Xiaojuan Liu,Nataša Poklar Ulrih,Pradeep K Sengupta,Jianbo Xiao.
(2018-09-04)
Plasma protein binding of dietary polyphenols to human serum albumin: A high performance affinity chromatography approach.. Food chemistry,
270
(257-263).
12.
Mian Wang, Yiting Wang, Muhammad Bilal, Chong Xie, Pei Wang, Xin Rui, Runqiang Yang.
(2024)
UV-B Radiation Exhibited Tissue-Specific Regulation of Isoflavone Biosynthesis in Soybean Cell Suspension Cultures. Foods,
13
(15):
(2385).
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12 Citations