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Sophoricoside - 10mM in DMSO, high purity , CAS No.152-95-4

5 Citations

COA

Grade & Purity:

10mM in DMSO

Cas Number: 152-95-4
Molecular Weight: 432.38
PubChem CID: 5321398

In stock

Item Number

S421814

Grouped product items
SKU	Size	Availability	Price	Qty
S421814-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$69.90

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Compound libraries (12325)

Basic Description

Synonyms	Sophoricoside \| 152-95-4 \| Genistein sophoricoside \| 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one \| Genistein sophoricoside [MI] \| 5',7'-Dihydroxy-4'-glucosyloxyisoflavone \| CHEMBL486626 \| J0407L5MGM \| 5,7-dihyd
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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Isoflavonoids
    - Subclass Isoflavonoid O-glycosides

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	Hydroxyisoflavonoids Isoflavones Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Alkyl glycosides Hexoses Chromones O-glycosyl compounds Phenoxy compounds Phenol ethers Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoflavonoid-4p-o-glycoside - Isoflavonoid o-glycoside - Isoflavone - Hydroxyisoflavonoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - Hexose monosaccharide - Alkyl glycoside - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Primary alcohol - 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	Not available
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

NA Neuraminidase (1107 Activities)

Discover Target: NA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Il5 Interleukin-5 (441 Activities)

Discover Target: Il5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
INCHI	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
InChIKey	ISQRJFLLIDGZEP-CMWLGVBASA-N
Smiles	C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES	C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
PubChem CID	5321398
Molecular Weight	432.38

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	-18 ° (C=1, Pyridine)
Melt Point(°C)	297°C
Molecular Weight	432.400 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	432.106 Da
Monoisotopic Mass	432.106 Da
Topological Polar Surface Area	166.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	675.000
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

How to Cite Aladdin Scientific Products?

1. 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).
2. 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).
3. 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).
4. Mei Jianfeng, Chen Xiang, Liu Jianghua, Yi Yu, Zhang Yanlu, Ying Guoqing. (2019) A Biotransformation Process for Production of Genistein from Sophoricoside by a Strain of Rhizopus oryza. Scientific Reports, 9 (1): (1-5).
5. 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).

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