Averantin - Moligand™,≥98% , CAS No.5803-62-3

CAS: 5803-62-3 Cat. No.: A275770 Peso molecular: 372.37

GRADE & PURITY Moligand™, ≥98%

Synonyms

Averantin | (S)-averantin | (S)-averantin | 1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxyhexyl]-9,10-anthraquinone | 6H95D7020N | 9,10-ANTHRACENEDIONE, 1,3,6,8-TETRAHYDROXY-2-((1S)-1-HYDROXYHEXYL)- | (S)-(-)-averantin | UNII-6H95D7020N

Storage

Protegido de la luz,Almacenar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

La averantina es el metabolito menor del hongo Cercospora arachidicola[1]. La averantina es un precursor de la aflatoxina B1 que puede utilizarse en la vía biosintética

Specifications

Sinónimos

Averantin | (S)-averantin | (S)-averantin | 1, 3, 6, 8-tetrahydroxy-2-[(1S)-1-hydroxyhexyl]-9, 10-anthraquinone | 6H95D7020N | 9, 10-ANTHRACENEDIONE, 1, 3, 6, 8-TETRAHYDROXY-2-((1S)-1-HYDROXYHEXYL)- | (S)-(-)-averantin | UNII-6H95D7020N

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Micotoxina. Precursor de la aflatoxina B1. Citotóxico contra líneas celulares de tumores sólidos.

Fuente

Aspergillus sp.

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O
• IUPAC Name: 1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxyhexyl]anthracene-9,10-dione
• InChIKey: WGPOPPKSQRZUTP-LBPRGKRZSA-N
• INCHI: 1S/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/t12-/m0/s1
• Isómeros SMILES: CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O
• Peso molecular: 372.37
• Reaxy-Rn: 2309929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2309929&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: Fatty alcohols Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary alcohols Polyols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Fatty alcohol - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Vinylogous acid - Ketone - Secondary alcohol - Polyol - Alcohol - Aromatic alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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: averantin

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)

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

MCF7 (126967 Activities)

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NCI-H460 (60772 Activities)

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Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Bacillus subtilis (32866 Activities)

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Bacillus thuringiensis (718 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Sensibilidad: light sensitive
• Peso molecular: 372.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 372.121 Da
• Monoisotopic Mass: 372.121 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 565.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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