Obtusifolin - ≥98% , CAS No.477-85-0

CAS: 477-85-0 Cat. No.: O418582 分子式: C₁₆H₁₂O₅ 分子量: 284.26 EC番号: 111-899-5

GRADE & PURITY ≥98%

Synonyms

2,8-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione | CCG-267293 | 2,8-Dihydroxy-1-methoxy-3-methyl-9,10-anthracenedione | SCHEMBL3171011 | Obtusifolin | A14672 | XO171108 | AKOS037514758 | MFCD18452296 | 9,10-Anthracenedione, 2,8-dihydroxy-1-methoxy-3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Obtusifolin is anthraquinone found in the seeds of Cassia obtusifolia, has inhibitory effects on platelet aggregation and aldose reductase.

Specifications

同義語

2,8-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione | CCG-267293 | 2,8-Dihydroxy-1-methoxy-3-methyl-9,10-anthracenedione | SCHEMBL3171011 | Obtusifolin | A14672 | XO171108 | AKOS037514758 | MFCD18452296 | 9,10-Anthracenedione, 2,8-dihydroxy-1-methoxy-3-

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: 2.794
• hba_count: 3
• HBD数: 2
• 回転可能な結合: 1

名前と識別子

• パブケム・シド: 504762408
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504762408
• カノニカル・スマイル: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O
• IUPAC Name: 2,8-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione
• InChIKey: NYRXUBDGDSRBGB-UHFFFAOYSA-N
• INCHI: 1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3
• 異性体SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O
• 分子量: 284.26
• Reaxy-Rn: 2297180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2297180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyanthraquinones
• Alternative Parents: Aryl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Aryl ketone - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Vinylogous acid - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
• External Descriptors: Anthraquinone type

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.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

EPHX2 Tchem Epoxide hydratase (3844 Activities)

Discover Target: EPHX2

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

作用メカニズム

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 25
• DMSO（mM） 最大溶解度: 87.9476535566031
• 水（mg / mL） 最大溶解度: -1
• 分子量: 284.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 284.068 Da
• Monoisotopic Mass: 284.068 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 448.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 477-85-0, the molecular formula is C16H12O5 , and the molecular weight is 284.26 g/mol. InChIKey NYRXUBDGDSRBGB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.