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Ononin - >97.0%(HPLC), high purity , CAS No.486-62-4
Basic Description
Synonyms
2-(2,2-Dicyclohexylethyl)piperidine acid maleate | FORMONONETIN 7-O-.BETA.-D-GLUCOSIDE | Z0Z637970U | 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)- | AS-72370 | CHEBI:7775 | 7Beta-(Glucosyloxy)Formonometin | CS-3719 | Fomononeti
Specifications & Purity
≥97%(HPLC)
Biochemical and Physiological Mechanisms
A isoflavone glucoside found in soybean, kudzu, and the Chinese medicinal herb, Radix astragali (RA). RA is a supplement taken to improve "energy." It may act by inducing erythropoietin expression.
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavonoid O-glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavonoid O-glycosides
Alternative Parents
4'-O-methylisoflavones Isoflavones Phenolic glycosides Hexoses Chromones O-glycosyl compounds Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Oxanes Heteroaromatic compounds Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonoid-7-o-glycoside - Isoflavonoid o-glycoside - 4p-o-methylisoflavone - Isoflavone - Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Pyranone - Alkyl aryl ether - Pyran - Monocyclic benzene moiety - Oxane - Monosaccharide - Benzenoid - Heteroaromatic compound - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Polyol - Organic oxygen compound - Alcohol - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
External Descriptors
isoflavones - 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
Pubchem Sid
504758789
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758789
IUPAC Name
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
INCHI
InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
MGJLSBDCWOSMHL-MIUGBVLSSA-N
Smiles
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molecular Weight
430.4
Beilstein
63067
Reaxy-Rn
14609706
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14609706&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture Sensitive
Melt Point(°C)
243 °C(dec.)
Molecular Weight
430.400 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
5
Exact Mass
430.126 Da
Monoisotopic Mass
430.126 Da
Topological Polar Surface Area
135.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
659.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
5
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.
Jiahui Ji, Huifang Wu, Donghan Wang, Dan Liu, Xinyue Chen, Shilan Feng.
(2022)
Green synthesis, characterization of Radix Hedysari-mediated silver nanoparticles and their use for sensitive colorimetric detection of Pb2+ in the Yellow River medium. Analytical Methods,
14
(6):
(643-651).
2.
Xiafen Xu, Xinhui Li, Xianrui Liang.
(2018)
Application of ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry in identification of three isoflavone glycosides and their corresponding metabolites. RAPID COMMUNICATIONS IN MASS SPECTROMETRY,
32
(3):
(262-268).
3.
Yong Jiang, Wenjun Ji, Ying Lu, Qin Wang, Linwei Chen.
(2025)
Integrating Plasma Metabolomics, Network Pharmacology, and Experimental Validation to Investigate the Action Mechanism of Qiangxin Lishui Prescription in Chronic Heart Failure. BIOMEDICAL CHROMATOGRAPHY,
39
(2):
(e6065).
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3 Citations
F1702011