Daidzin - ≥98% , CAS No.552-66-9

Name: Daidzin - ≥98% , CAS No.552-66-9
SKU: D106429
Availability: InStock

CAS: 552-66-9 Cat. No.: D106429 Fórmula: C₂₁H₂₀O₉ Peso molecular: 416.38 Beilstein Registry Number: 59741 Número CE: 611-245-3

19 Citations COA

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Daidzin - ≥98% CAS No(552-66-9) by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY ≥98%

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas FAQs e artigos Citations of This Product Calculadoras de soluções Revisões

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 19 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504756644

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756644

Sorrisos canónicos

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O

IUPAC Name

3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

InChIKey

KYQZWONCHDNPDP-QNDFHXLGSA-N

INCHI

1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

SMILES isoméricas

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

WGK Alemanha

RTECS

DJ3094000

Peso molecular

416.38

Beilstein

59741

Reaxy-Rn

24724147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24724147&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Isoflavonoids
Subclass	Isoflavonoid O-glycosides
Intermediate Tree Nodes	Not available
Direct Parent	Isoflavonoid O-glycosides
Alternative Parents	Isoflavones Phenolic glycosides Hexoses Chromones O-glycosyl compounds Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoflavonoid o-glycoside - Isoflavonoid-7-o-glycoside - Isoflavone - Phenolic glycoside - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Descrição	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
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

Estrutura 3D

Alvos associados (humanos)

ALDH2 Tclin Aldehyde dehydrogenase, mitochondrial (2 Activities)

Discover Target: ALDH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALDH2 Tclin Aldehyde dehydrogenase (509 Activities)

Discover Target: ALDH2

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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

ALDH1B1 Tchem Aldehyde dehydrogenase X (80 Activities)

Discover Target: ALDH1B1

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

ALDH3A1 Tchem Aldehyde dehydrogenase dimeric NADP-preferring (307 Activities)

Discover Target: ALDH3A1

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

ALDH1A3 Tchem Aldehyde dehydrogenase 1A3 (336 Activities)

Discover Target: ALDH1A3

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

HepG2 (196354 Activities)

Lot Number	Certificate Type	Data	Item
I1708002	Certificate of Analysis	Sep 07, 2026	D106429
E2231104	Certificate of Analysis	Dec 12, 2025	D106429
E2231110	Certificate of Analysis	Dec 12, 2025	D106429
L2501020	Certificate of Analysis	Dec 08, 2025	D106429
G2503289	Certificate of Analysis	Jul 05, 2025	D106429
G2503290	Certificate of Analysis	Jul 05, 2025	D106429
G2503291	Certificate of Analysis	Jul 05, 2025	D106429
E1514041	Certificate of Analysis	Sep 06, 2024	D106429

Sensibilidade	Heat Sensitive
Rotação específica [α]	-39° (C=0.5,DMSO)
Ponto de fusão (°C)	242 °C(dec.)
Peso molecular	416.400 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	416.111 Da
Monoisotopic Mass	416.111 Da
Topological Polar Surface Area	146.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	644.000
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

Daidzin - ≥98% , CAS No.552-66-9

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Avaliações dos Clientes

📚 Citations by Application

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