Chemical Component Summary

NameMETHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE
SynonymsAZOXYSTROBIN
Identifiersmethyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoate
FormulaC22 H17 N3 O5
Molecular Weight403.387
TypeNON-POLYMER
Isomeric SMILESCO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC
InChIInChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChIKeyWFDXOXNFNRHQEC-GHRIWEEISA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count49
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB07401 
NameAzoxystrobin
Groups experimental
DescriptionAzoxystrobin is a methoxyacrylate analog and a strobilurin fungicide.
SynonymsAzoxystrobin
Categories
  • Acids, Acyclic
  • Acrylates
  • Electron Transport Complex III
  • Fungicides, Industrial
  • Methacrylates
CAS number131860-33-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytochrome c1, heme protein, mitochondrialMAAAAASLRGVVLGPRGAGLPGARARGLLCSARPGQLPLRTPQAVALSSK...unknown
Cytochrome bMTPMRKTNPLMKLINHSFIDLPTPSNISAWWNFGSLLGACLILQITTGLF...unknown
Cytochrome b-c1 complex subunit 1, mitochondrialMAASVVCRAATAGAQVLLRARRSPALLRTPALRSTATFAQALQFVPETQV...unknown
Cytochrome b-c1 complex subunit 2, mitochondrialMKLLTRAGSFSRFYSLKVAPKVKATAAPAGAPPQPQDLEFTKLPNGLVIA...unknown
Cytochrome b-c1 complex subunit 6, mitochondrialMGLEDEQKMLTESGDPEEEEEEEEELVDPLTTVREQCEQLEKCVKARERL...unknown
View More
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
PubChem 3034285
ChEMBL CHEMBL230001
ChEBI CHEBI:40909
CCDC/CSD TIZHOC, TIZHUI01, TIZHIW, TIZHUI, DIZVEQ, DIZVIU, TIZJAQ, TIZHOC01, RUPGOB