3-(4-Hydroxy-3-methoxyphenyl)propionic Acid - 10mM in DMSO , CAS No.1135-23-5

CAS: 1135-23-5 Cat. No.: H420683 Summenformel: C₁₀H₁₂O₄ Molekulargewicht: 196.2 EG-Nummer: 214-489-5

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

Dihydro Ferulic Acid | H1180 | CCG-266549 | Benzenepropanoic acid, 4-hydroxy-3-methoxy | 3-METHOXYPHLORETIC ACID | 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid # | HY-N7080 | 3-(4-Hydroxymethyl)propionic acid | AKOS000166726 | EINECS 214-489-5 | 3-(4-Hydro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

It is a caffeine metabolite which showed high antioxidant activity. It is a very sensitive biomarker for the consumption of relatively small amount of coffee. Can be used to inhibit prostaglandin E(2) production.

Spezifikationen

Synonyme

Dihydro Ferulic Acid | H1180 | CCG-266549 | Benzenepropanoic acid, 4-hydroxy-3-methoxy | 3-METHOXYPHLORETIC ACID | 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid # | HY-N7080 | 3-(4-Hydroxymethyl)propionic acid | AKOS000166726 | EINECS 214-489-5 | 3-(4-Hydro

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528758180

Kanonisches Lächeln

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

IUPAC Name

3-(4-hydroxy-3-methoxyphenyl)propanoic acid

InChIKey

BOLQJTPHPSDZHR-UHFFFAOYSA-N

INCHI

1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)

Isomere SMILES

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

WGK Deutschland

2

Molekulargewicht

196.2

Reaxy-Rn

2110370

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110370&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: monocarboxylic acid

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

Zugehörige Ziele (nicht menschlich)

Saccharomyces cerevisiae (19171 Activities)

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RAW264.7 (28094 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 87-93°C
• Molekulargewicht: 196.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1