(3R)-3-hydroxy-5-oxo-7-phenylheptanoic acid - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.R609429, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: R609429 Cat. No.: R609429 PubChem CID: 44303431

GRADE & PURITY Moligand™

Synonyms

compound 7

Storage

Room temperature

Specifications

Synonyms

compound 7

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of hydroxymethylglutaryl-CoA reductase

Names and Identifiers

• Canonical Smiles: O[C@@H](CC(=O)O)CC(=O)CCc1ccccc1
• IUPAC Name: (3R)-3-hydroxy-5-oxo-7-phenylheptanoic acid
• InChIKey: AOBNEADIHQEJLV-GFCCVEGCSA-N
• INCHI: 1S/C13H16O4/c14-11(8-12(15)9-13(16)17)7-6-10-4-2-1-3-5-10/h1-5,12,15H,6-9H2,(H,16,17)/t12-/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)CCC(=O)C[C@H](CC(=O)O)O
• PubChem CID: 44303431

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Beta-hydroxy ketones Benzene and substituted derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Fatty acyl - Benzenoid - Fatty acid - Ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Alcohol - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• 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(Human)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (1 Activities)

Discover Target: HMGCR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action