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

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

COA

Cas Number: 7196-71-6
Molecular Weight: 356.32
PubChem CID: 13962928

In stock

Item Number

F647348

Grouped product items
SKU	Size	Availability	Price	Qty
F647348-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90
F647348-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90

Phenylpropanoids Simple Phenylpropanols Phenols Monophenols

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Drug Metabolite (241) Metabolic Enzyme/Protease (4860) Metabolite (5307) Phenylpropanoids Simple Phenylpropanols Phenols Monophenols (4)

Basic Description

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 Temp	Protected from light,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	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
InChIKey	JWRQVQWBNRGGPK-PMQCXRHVSA-N
Smiles	COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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 Å²
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

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