Isoferulic Acid - Moligand™, ≥98% , CAS No.537-73-5

CAS: 537-73-5 Cat. No.: I131024 Formule: C₁₀H₁₀O₄ Poids moléculaire: 194.18 Beilstein Registry Number: 10437 Numéro CE: 208-676-0

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

DTXSID501009309 | Isoferulate | XSQ2K2G7MC | (E)-3-(3-hydroxy-4-methoxyphenyl)acrylicacid | DTXCID90908460 | Hesperetic acid | SCHEMBL249042 | 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)- | 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid | trans-Isoferulic

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

3-Hydroxy-4-methoxycinnamic acid is isolated from the aerial part of Artemisia capillaris, Chinese medicinal plant. It is a component of chinese herbal medicine used for a pain killer and stomachic.
3-Hydroxy-4-methoxycinnamic acid was used in the synthesis of tranilast and various tranilast analogs (cinnamoyl anthranilates) by genetically engineered Saccharomyces cerevisiae yeast strain.

Spécifications

Synonymes

DTXSID501009309 | Isoferulate | XSQ2K2G7MC | (E)-3-(3-hydroxy-4-methoxyphenyl)acrylicacid | DTXCID90908460 | Hesperetic acid | SCHEMBL249042 | 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)- | 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid | trans-Isoferulic

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

3-Hydroxy-4-methoxycinnamic acid is bioactive metabolite of Spilanthes acmella Murr. It increases the resistance of low-density lipoprotein (LDL) to oxidation.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504760044

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760044

Sourires canoniques

COC1=C(C=C(C=C1)C=CC(=O)O)O

IUPAC Name

(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

InChIKey

QURCVMIEKCOAJU-HWKANZROSA-N

INCHI

1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Isomères SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)O

WGK Allemagne

2

RTECS

UD3365400

Poids moléculaire

194.18

Beilstein

10437

Reaxy-Rn

2212758

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212758&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycinnamic acids
• Alternative Parents: Coumaric acids and derivatives Cinnamic acids Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
• External Descriptors: ferulic acids

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 230°C
• Poids moléculaire: 194.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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