(2E, 6E)-farnesylbisphosphonate - Moligand™ , Inhibitor of geranylgeranyl diphosphate synthase, CAS No.E607113, Inhibitor of geranylgeranyl diphosphate synthase

CAS: E607113 Cat. No.: E607113 PubChem CID: 9871730

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of geranylgeranyl diphosphate synthase

Names and Identifiers

• Canonical Smiles: C/C(=C\CC/C(=C/CC(P(=O)(O)O)P(=O)(O)O)/C)/CCC=C(C)C
• IUPAC Name: [(3E,7E)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trien-1-yl]phosphonic acid
• InChIKey: QBAOBDKNTDWTHR-YFVJMOTDSA-N
• INCHI: 1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+,15-11+
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC(P(=O)(O)O)P(=O)(O)O)/C)/C)C
• PubChem CID: 9871730

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Bisphosphonates Organic phosphonic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Bisphosphonate - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive 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)

GGPS1 Tchem Geranylgeranyl pyrophosphate synthase (3 Activities)

Discover Target: GGPS1

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