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Neohesperidin - 97%, high purity , CAS No.13241-33-3
Basic Description
Synonyms
(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deox
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
Antioxidant agent. Precursor of neohesperidin dihydrochalcone . Regulates apoptotic activity. Inhibits proliferation (IC 50 = 47 μm). Scavenges ROS. Shows anti-ischemic effects in vivo. Orally active.
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Neohesperidin is a flavonoid. Flavanone glycoside with antioxidant and neuroprotective properties. Unlike other citrus flavanones, it does not inhibit oral carcinogenesis in a rat model .
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid-7-O-glycosides
Alternative Parents
4'-O-methylated flavonoids 3'-hydroxyflavonoids 5-hydroxyflavonoids Flavanones Phenolic glycosides O-glycosyl compounds Disaccharides Chromones Methoxyphenols Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Vinylogous acids Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavanone - Flavan - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Chromone - Methoxyphenol - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Aryl ketone - Aryl alkyl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Oxane - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
External Descriptors
flavanones
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
Pubchem Sid
504758783
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758783
IUPAC Name
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
INCHI
InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey
ARGKVCXINMKCAZ-UZRWAPQLSA-N
Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
WGK Germany
3
RTECS
DJ2981400
Molecular Weight
610.56
Beilstein
74945
Reaxy-Rn
25642582
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25642582&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light sensitive
Specific Rotation[α]
-97° (C=1,Pyridine)
Melt Point(°C)
243 °C
Molecular Weight
610.600 g/mol
XLogP3
-0.500
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
7
Exact Mass
610.19 Da
Monoisotopic Mass
610.19 Da
Topological Polar Surface Area
234.000 Ų
Heavy Atom Count
43
Formal Charge
0
Complexity
940.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
11
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.
Yu Bo, Luo Shiyu, Ding Yuhan, Gong Zijie, Nie Ting.
(2022)
Insights into glycosidic bond specificity of an engineered selective α-L-rhamnosidase N12-Rha via activity assays and molecular modelling. AMB Express,
12
(1):
(1-14).
2.
Dan Yu, Fei Liu, Changdong Zou, Xiao Yang.
(2023)
Municipal green waste promotes iron release from steelmaking slag in water. RESOURCES CONSERVATION AND RECYCLING,
188
(106722).
3.
Qi Quan, Wei Liu, Jiajing Guo, Meiling Ye, Juhua Zhang.
(2022)
Effect of Six Lactic Acid Bacteria Strains on Physicochemical Characteristics, Antioxidant Activities and Sensory Properties of Fermented Orange Juices. Foods,
11
(13):
(1920).
4.
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).
5.
Lu Shao Hua, Zhang Ming Cai, Zhai Hong Lin, Bi Ke Xin, Zhao Bing Qiang.
(2022)
Rapid Determination in the Quality Control of Chinese Patent Medicine. Journal of Pharmaceutical Innovation,
17
(4):
(1305-1313).
6.
Lingrong Wen, Mingyang He, Chunxiao Yin, Yueming Jiang, Donghui Luo, Bao Yang.
(2021)
Phenolics in Citrus aurantium fruit identified by UHPLC-MS/MS and their bioactivities. LWT-FOOD SCIENCE AND TECHNOLOGY,
147
(111671).
7.
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).
8.
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).
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8 Citations
G2431390