[10]-Shogaol - Moligand™, ≥98% , CAS No.36752-54-2

CAS: 36752-54-2 Cat. No.: S646198 Peso molecular: 332.48 Número EC: 106-812-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-(4-Hydroxy-3-methoxyphenyl)tetradec-4-en-3-one | 4-Tetradecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)- | 1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one | (10)-Shogaol | AC-34350 | 10-Shogaol | (E)-1-(4-hydroxy-3-methoxy-phenyl)tetradec-4-en-3-one | (E)-1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

[10]-Shogaol is an antioxidant from Zingiber officinale for human skin cell growth and a migration enhancer. [10]-Shogaol inhibits COX-2 with an IC50 of 7.5 μM and has antiproliferation activity.

Specifications

Sinónimos

1-(4-Hydroxy-3-methoxyphenyl)tetradec-4-en-3-one | 4-Tetradecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)- | 1-(4-Hydroxy-3-methoxyphenyl)-4-tetradecen-3-one | (10)-Shogaol | AC-34350 | 10-Shogaol | (E)-1-(4-hydroxy-3-methoxy-phenyl)tetradec-4-en-3-one | (E)-1

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

[10]-Shogaol is an antioxidant from Zingiber officinale for human skin cell growth and a migration enhancer. [10]-Shogaol inhibits COX-2 with an IC 50 of 7.5 μM and has antiproliferation activity.

Condiciones de almacenamiento de almacenamiento

Protected from light, 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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
• IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
• InChIKey: FADFGCOCHHNRHF-VAWYXSNFSA-N
• INCHI: 1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+
• Isómeros SMILES: CCCCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
• Peso molecular: 332.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Shogaols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Shogaol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Ether - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as shogaols. These are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively.
• External Descriptors: Not available

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)

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

Discover Target: HTR1A

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

Caco-2 (12174 Activities)

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

IMR-32 (1082 Activities)

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

Objetivos asociados (no humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

Rodentolepis nana (555 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (300.77 mM; Need ultrasonic)
• Sensibilidad: Light sensitive
• Peso molecular: 332.500 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 332.235 Da
• Monoisotopic Mass: 332.235 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 351.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1