HPS

PHENYL DIHYDROGEN PHOSPHATE

Created: 2003-06-20
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6
2D diagram of HPS
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Chemical Component Summary

NamePHENYL DIHYDROGEN PHOSPHATE
SynonymsPHENYLPHOSPHATE
Systematic Name (OpenEye OEToolkits)phenyl dihydrogen phosphate
FormulaC6 H7 O4 P
Molecular Weight174.091
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(Oc1ccccc1)(O)O
SMILESCACTVS3.341O[P](O)(=O)Oc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[P](O)(=O)Oc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyInChI1.03 CMPQUABWPXYYSH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03298 
NamePhenylphosphate
Groups experimental
Synonyms
  • Phenylphosphoric acid
  • Phenylphosphate
  • Phenyl phosphate
  • Monophenylphosphate
  • Phenolic phosphate
CategoriesOrganophosphorus Compounds
CAS number701-64-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Proto-oncogene tyrosine-protein kinase SrcMGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP...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
PubChem 12793
ChEMBL CHEMBL26128
ChEBI CHEBI:37548
CCDC/CSD VICNIE