Hesperidin methyl chalcone - ≥95% , CAS No.24292-52-2

CAS: 24292-52-2 Cat. No.: H338258 Peso molecular: 624.59 Número EC: 246-128-2 PubChem CID: 6436550

GRADE & PURITY ≥95%

Synonyms

Q27260452 | (E)-1-[4-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one | (E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-hydroxy-6-methoxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Describtion:

Hesperidin methylchalcone (Hesperidin methyl chalcone) inhibits oxidative stress, cytokine production and NF-κB activation. Hesperidin methylchalcone inhibits inflammation and pain. Hesperidin methylchalcone exhibits vasoprotective activity.    

Specifications

Sinónimos

Q27260452 | (E)-1-[4-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one | (E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-hydroxy-6-methoxy-4-(((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504764168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764168
• Sonrisas canónicas: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C(C(=C3)OC)C(=O)C=CC4=CC(=C(C=C4)OC)O)O)O)O)O)O)O)O
• IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
• InChIKey: FDHNLHLOJLLXDH-JIYHLSBYSA-N
• INCHI: 1S/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3/b6-4+/t12-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1
• Isómeros SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)OC)C(=O)/C=C/C4=CC(=C(C=C4)OC)O)O)O)O)O)O)O)O
• WGK Alemania: 3
• PubChem CID: 6436550
• Peso molecular: 624.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid O-glycosides
• Alternative Parents: 2'-Hydroxychalcones Cinnamylphenols Phenolic glycosides Hydroxycinnamic acids and derivatives Disaccharides O-glycosyl compounds Methoxyphenols Anisoles Aryl ketones Benzoyl derivatives Styrenes Methoxybenzenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Enones Vinylogous acids Acryloyl compounds Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Flavonoid o-glycoside - 2'-hydroxychalcone - Linear 1,3-diarylpropanoid - Cinnamylphenol - Phenolic glycoside - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Disaccharide - Methoxyphenol - Phenol ether - Anisole - Aryl ketone - Styrene - Phenoxy compound - Methoxybenzene - Benzoyl - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Oxane - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Secondary alcohol - Ketone - Ether - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO: 50 mg/mL (80.05 mM)
• Sensibilidad: light sensitive
• Rotación específica [α]: [α]20/D -71°, c = 1 in ethanol
• Punto de ebullición (°C): 952.97° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 120° C (dec.)
• Peso molecular: 624.600 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 624.205 Da
• Monoisotopic Mass: 624.205 Da
• Topological Polar Surface Area: 234.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 952.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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