5-ketodihydromevinolin - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.K607225, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: K607225 Cat. No.: K607225 PubChem CID: 44298287

GRADE & PURITY Moligand™

Synonyms

compound 69

Storage

Room temperature

Specifications

Synonyms

compound 69

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of hydroxymethylglutaryl-CoA reductase

Names and Identifiers

• Canonical Smiles: CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C[C@H]2C1[C@@H](CCC(=O)C[C@H](CC(=O)O)O)[C@H](C=C2)C)C
• IUPAC Name: (3R)-7-[(1S,2S,4aR,6S,8S)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-hydroxy-5-oxoheptanoic acid
• InChIKey: OOKAZRDERJMRCJ-KOUAFAAESA-N
• INCHI: 1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,14-17,19-21,23,26H,5,8-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17-,19+,20-,21-,23?/m0/s1
• Isomeric SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@H]2C1[C@H]([C@H](C=C2)C)CCC(=O)C[C@H](CC(=O)O)O)C
• PubChem CID: 44298287

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: Fatty alcohols Medium-chain fatty acids Hydroxy fatty acids Fatty acid esters Branched fatty acids Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Beta-hydroxy ketones Secondary alcohols Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Medium-chain hydroxy acid - Fatty alcohol - Medium-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Fatty acid ester - Hydroxy fatty acid - Beta-hydroxy ketone - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aliphatic homopolycyclic 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