2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylsulfanyl)tetradeca-3,7,11-trienyl]oxirane - Moligand™ , Inhibitor of lanosterol synthase, CAS No.D609207, Inhibitor of lanosterol synthase

CAS: D609207 Cat. No.: D609207 PubChem CID: 10095126

GRADE & PURITY Moligand™

Synonyms

compound 3

Storage

Room temperature

Specifications

Sinónimos

compound 3

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of lanosterol synthase

Nombres e identificadores

• Sonrisas canónicas: CC(CCC=C(C)C)SCC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/C
• IUPAC Name: 2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylsulfanyl)tetradeca-3,7,11-trienyl]oxirane
• InChIKey: CRZHANPLXOIADK-YNWRIEOZSA-N
• INCHI: 1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
• Isómeros SMILES: CC(CCC=C(C)C)SCC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C
• PubChem CID: 10095126

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Monocyclic monoterpenoids
• Alternative Parents: Sulfenyl compounds Oxacyclic compounds Epoxides Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Monocyclic monoterpenoid - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene 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

Objetivos asociados (humanos)

LSS Tchem Lanosterol synthase (2 Activities)

Discover Target: LSS

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

LSS Tchem Lanosterol synthase (305 Activities)

Discover Target: LSS

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

Mecanismos de acción