5-Hydroxyferulic acid - ≥99% , CAS No.1782-55-4

CAS: 1782-55-4 Cat. No.: H649625 Summenformel: C₁₀H₁₀O₅ Molekulargewicht: 210.18 EG-Nummer: 803-254-8 PubChem CID: 446834

GRADE & PURITY ≥99%

Synonyms

SR-01000597542-1 | (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid | 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic acid | 3,4-Dihydroxy-5-methoxycinnamoic acid | Cinnamic acid, 3,4-dihydroxy-5-methoxy- | HY-133068 | PD164672 | Q1033729 | (2E)-3-(3,4-di

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

5-Hydroxyferulic acid is a hydroxycinnamic acid and is a metabolite of the phenylpropanoid pathway. 5-Hydroxyferulic acid is a precursor in the biosynthesis of sinapic acid and is also a COMT non-esterifed substrate

In Vitro

The product of the alfalfa Caffeic acid/5-hydroxyferulic acid 3/5-O-methyltransferase (COMT) catalyzed methylation of 5-Hydroxyferulic acid is sinapic acid. 5-Hydroxyferulic acid O-methyltransferase activities (pkat mg-1 protein) in stem material from COMT downregulates transgenic alfalfa. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Human Endogenous Metabolite

Specifications

Synonyme

SR-01000597542-1 | (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid | 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic acid | 3,4-Dihydroxy-5-methoxycinnamoic acid | Cinnamic acid, 3,4-dihydroxy-5-methoxy- | HY-133068 | PD164672 | Q1033729 | (2E)-3-(3,4-di

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

5-Hydroxyferulic acid is a hydroxycinnamic acid and is a metabolite of the phenylpropanoid pathway. 5-Hydroxyferulic acid is a precursor in the biosynthesis of sinapic acid and is also a COMT non-esterifed substrate.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC(=CC(=C1O)O)C=CC(=O)O
• IUPAC Name: (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
• InChIKey: YFXWTVLDSKSYLW-NSCUHMNNSA-N
• INCHI: 1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+
• Isomere SMILES: COC1=CC(=CC(=C1O)O)/C=C/C(=O)O
• Alternative CAS-Nummer: 1782-55-4,110642-42-7
• PubChem CID: 446834
• MeSH-Eintrag: 5-hydroxyferulic acid
• Molekulargewicht: 210.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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 Catechols Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Hydroxycinnamic acid - Coumaric acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Catechol - 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
• Beschreibung: 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: Coniferyl alcohol derivatives

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (475.78 mM; Need ultrasonic)
• Molekulargewicht: 210.180 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.053 Da
• Monoisotopic Mass: 210.053 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 250.000
• 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