{[(3-{[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)amino}propoxy)(hydroxy)phosphoryl]oxy}phosphonic acid - Moligand™ , Inhibitor of geranylgeranyl diphosphate synthase, CAS No.E608680, Inhibitor of geranylgeranyl diphosphate synthase

CAS: E608680 Cat. No.: E608680 PubChem CID: 5473007

GRADE & PURITY Moligand™

Synonyms

AC1NV8HB | compound 12

Storage

Room temperature

Specifications

Synonyms

AC1NV8HB | compound 12

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of geranylgeranyl diphosphate synthase

Names and Identifiers

• Canonical Smiles: CN(CC/C=C(/CCC=C(C)C)\C)CCCOP(=O)(OP(=O)(O)O)O
• IUPAC Name: {[(3-{[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)amino}propoxy)(hydroxy)phosphoryl]oxy}phosphonic acid
• InChIKey: PNEIVJAQBZSMGD-XNTDXEJSSA-N
• INCHI: 1S/C15H31NO7P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-25(20,21)23-24(17,18)19/h8,10H,5-7,9,11-13H2,1-4H3,(H,20,21)(H2,17,18,19)/b15-10+
• Isomeric SMILES: CC(=CCC/C(=C/CCN(C)CCCOP(=O)(O)OP(=O)(O)O)/C)C
• PubChem CID: 5473007

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds
      • Subclass Organic pyrophosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Organic pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic pyrophosphates
• Alternative Parents: Acyclic monoterpenoids Monoalkyl phosphates Trialkylamines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Monoterpenoid - Organic pyrophosphate - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tertiary amine - Tertiary aliphatic amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.
• 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 (2 Activities)

Discover Target: GGPS1

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

Mechanisms of Action