(S)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid - Moligand™, ≥98% , CAS No.23508-35-2

CAS: 23508-35-2 Cat. No.: H710411 Molecular Weight: 182.17 EC Number: 676-144-9 PubChem CID: 9920545

GRADE & PURITY Moligand™, ≥98%

Synonyms

(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid (Compound 1) is a metabolite. (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid can be isolated from the culture medium of Leuconostoc mesenteroides. (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid has strong antioxidant activity.

Specifications

Synonyms

(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CC(C(=O)O)O)O
• IUPAC Name: (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: JVGVDSSUAVXRDY-QMMMGPOBSA-N
• INCHI: 1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)O)O
• Alternate CAS: 23508-35-2
• PubChem CID: 9920545
• Molecular Weight: 182.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alpha-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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: Not available

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(non-human)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 182.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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