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

CAS: 7196-71-6 Cat. No.: F647348 Molecular Weight: 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

Overview

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

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

Biochemical and Physiological Mechanisms

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.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 356.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Associated Targets(Human)

Jurkat (10389 Activities)

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

Associated Targets(non-human)

RAW264.7 (28094 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : 50 mg/mL (140.32 mM; Need ultrasonic)
• Molecular Weight: 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