Shikonin - ≥98%(HPLC) , CAS No.54952-43-1

Name: Shikonin - ≥98%(HPLC) , CAS No.54952-43-1
SKU: S170939
Availability: InStock

CAS: 54952-43-1 Cat. No.: S170939 Fórmula: C₁₆H₁₆O₅ Peso molecular: 288.3 Número CE: 684-467-1 PubChem CID: 5208

9 Citations COA

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Shikonin - ≥98%(HPLC) CAS No(54952-43-1) by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY ≥98%(HPLC)

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral 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 Citations of This Product Calculadoras de soluções Revisões

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Why this grade

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

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

(±)-Shikonin is a racemic mixture of naturally occuring isohexenylnaphthazarin compounds which may contribute to antibacterial and anti-inflammatory activity.

Specifications

Sinónimos

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Shikonin is a potent anti-fungal agent against C. albicans biofilms. It displays anti-oxidant and chemotherapeutic properties on human glioma cells. Naphthoquinone isolated from Arnebia sp. Used as an anti-inflammatory treatment in traditional chinese med

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

528775512

Sorrisos canónicos

CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C

IUPAC Name

5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione

InChIKey

NEZONWMXZKDMKF-UHFFFAOYSA-N

INCHI

1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3

SMILES isoméricas

CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C

PubChem CID

5208

Peso molecular

288.3

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 Benzenoids
  - Classe Naphthalenes
    - Subclass Naphthoquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Naphthalenes
Subclass	Naphthoquinones
Intermediate Tree Nodes	Not available
Direct Parent	Naphthoquinones
Alternative Parents	Bicyclic monoterpenoids Aromatic monoterpenoids Quinones Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Naphthoquinone - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Aryl ketone - Quinone - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Secondary alcohol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors	a secondary metabolite - a quinone
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)

A498 (42825 Activities)

Lot Number	Certificate Type	Data	Item
G2228138	Certificate of Analysis	May 09, 2025	S170939
G2228139	Certificate of Analysis	May 09, 2025	S170939
G2228140	Certificate of Analysis	May 09, 2025	S170939
G2228141	Certificate of Analysis	May 09, 2025	S170939
J2021116	Certificate of Analysis	Aug 04, 2023	S170939
L2411288	Certificate of Analysis	Jun 12, 2022	S170939

Solubilidade	methanol: 1 mg/mL
Sensibilidade	Heat & Moisture sensitive
Peso molecular	288.290 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	288.1 Da
Monoisotopic Mass	288.1 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	501.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1