Obtusifolin - ≥98% , CAS No.477-85-0

CAS: 477-85-0 Cat. No.: O418582 Fórmula: C₁₆H₁₂O₅ Peso molecular: 284.26 Número EC: 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

Descripción general

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

Specifications

Sinónimos

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-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• ALogP: 2.794
• hba_count: 3
• Recuento HBD: 2
• Enlace rotable: 1

Nombres e identificadores

• Pubchem Sid: 504762408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762408
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O
• Peso molecular: 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
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

EPHX2 Tchem Epoxide hydratase (3844 Activities)

Discover Target: EPHX2

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 25
• DMSO (mM) Solubilidad máxima: 87.9476535566031
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 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

Preguntas frecuentes

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.