29-methylidene-2,3-oxidosqualene - Moligand™ , Inhibitor of lanosterol synthase, CAS No.M607106, Inhibitor of lanosterol synthase

CAS: M607106 Cat. No.: M607106 PubChem CID: 6438780

GRADE & PURITY Moligand™

Synonyms

(3H)29-Mos | GTPL6719 | Q27071878 | PD047632 | 29-Methylidene-2,3-oxidosqualene | Oxirane, 3-(16-ethenyl-3,7,12,20-tetramethyl-3,7,11,15,19-heneicosapentaenyl)-2,2-dimethyl-, (S-(all-E))- | 2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-en

Storage

Room temperature

Specifications

Synonyms

(3H)29-Mos | GTPL6719 | Q27071878 | PD047632 | 29-Methylidene-2, 3-oxidosqualene | Oxirane, 3-(16-ethenyl-3, 7, 12, 20-tetramethyl-3, 7, 11, 15, 19-heneicosapentaenyl)-2, 2-dimethyl-, (S-(all-E))- | 2, 2-dimethyl-3-[(3E, 7E, 11E, 15E, 19Z)-3, 7, 12-trimethyl-16-prop-2-en

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of lanosterol synthase

Names and Identifiers

• Canonical Smiles: C/C=C\CC/C(=C\CC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/C)/CC=C
• IUPAC Name: 2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-enylhenicosa-3,7,11,15,19-pentaenyl]oxirane
• InChIKey: DOTTUEYUTNVWMJ-KSTFQPQISA-N
• INCHI: 1S/C31H50O/c1-8-10-11-22-29(16-9-2)23-15-21-27(4)18-13-12-17-26(3)19-14-20-28(5)24-25-30-31(6,7)32-30/h8-10,17-18,20,23,30H,2,11-16,19,21-22,24-25H2,1,3-7H3/b10-8-,26-17+,27-18+,28-20+,29-23-
• Isomeric SMILES: C/C=C\CC/C(=C\CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/CC=C
• PubChem CID: 6438780

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Diterpenoid - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• 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)

LSS Tchem Lanosterol synthase (1 Activities)

Discover Target: LSS

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