Ferulic acid acyl-β-D-glucoside , CAS No.7196-71-6

CAS: 7196-71-6 Cat. No.: F647348 Peso molecular: 356.32 PubChem CID: 13962928

Synonyms

1446756-47-3 | D93553 | DTXSID90873563 | NCGC00385766-01 | L-alpha-Dipalmitoylphosphatidylserine | A-D-glucoside | CHEBI:81321 | Ferulic acid acyl-??-D-glucoside | DTXSID501289981 | 1-[3-(4-Hydroxy-3-Methoxyphenyl)-2-propenoate] ss-D-Glucopyranose | (2S,3

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Ferulic acid acyl-β-D-glucoside is a metabolite of Ferulic Acid . Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC 50 s of 3.78 and 12.5 μM for FGFR1 and FGFR2 , respectively .

Form:Solid

Specifications

Sinónimos

1446756-47-3 | D93553 | DTXSID90873563 | NCGC00385766-01 | L-alpha-Dipalmitoylphosphatidylserine | A-D-glucoside | CHEBI:81321 | Ferulic acid acyl-??-D-glucoside | DTXSID501289981 | 1-[3-(4-Hydroxy-3-Methoxyphenyl)-2-propenoate] ss-D-Glucopyranose | (2S, 3

Mecanismos bioquímicos y fisiológicos

Ferulic acid acyl-β-D-glucoside is a metabolite of Ferulic Acid ( HY-N0060 ). Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC 50 s of 3.78 and 12.5 μM for FGFR1 and FGFR2 , respectively.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O
• IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChIKey: JWRQVQWBNRGGPK-PMQCXRHVSA-N
• INCHI: 1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1
• Isómeros SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
• PubChem CID: 13962928
• Peso molecular: 356.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives
        • Level5 Hydroxycinnamic acid esters
          • Level6 Hydroxycinnamic acid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Hydroxycinnamic acid esters
• Direct Parent: Hydroxycinnamic acid glycosides
• Alternative Parents: O-cinnamoyl glycosides Coumaric acids and derivatives Hexoses Methoxyphenols Phenoxy compounds Methoxybenzenes Styrenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Oxanes Enoate esters Secondary alcohols Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxycinnamic acid glycoside - O-cinnamoyl glycoside - Coumaric acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Phenol - Alkyl aryl ether - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Polyol - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives.
• External Descriptors: glycoside

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)

Jurkat (10389 Activities)

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Objetivos asociados (no humanos)

RAW264.7 (28094 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: H2O : 50 mg/mL (140.32 mM; Need ultrasonic)
• Peso molecular: 356.320 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 356.111 Da
• Monoisotopic Mass: 356.111 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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