SRL

[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER



Chemical Component Summary

Name[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
SynonymsSR12813
Identifiers4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butyl-phenol
FormulaC24 H42 O7 P2
Molecular Weight504.534
TypeNON-POLYMER
Isomeric SMILESCCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
InChIKeyYQLJDECYQDRSBI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count0
Bond Count75
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04466 
NameSR12813
Groups experimental
SynonymsSR12813
CAS number126411-39-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Nuclear receptor subfamily 1 group I member 2MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL458767
PubChem 446313
ChEMBL CHEMBL458767
ChEBI CHEBI:77317