BFL

2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID

Created: 2003-08-18
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count13
2D diagram of BFL
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Chemical Component Summary

Name2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)(2S)-2-(4-phenylphenyl)propanoic acid
FormulaC15 H14 O2
Molecular Weight226.27
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(c2ccc(c1ccccc1)cc2)C
SMILESCACTVS3.341C[CH](C(O)=O)c1ccc(cc1)c2ccccc2
SMILESOpenEye OEToolkits1.5.0CC(c1ccc(cc1)c2ccccc2)C(=O)O
Canonical SMILESCACTVS3.341 C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O
InChIInChI1.03 InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyInChI1.03 JALUUBQFLPUJMY-NSHDSACASA-N

Drug Info: DrugBank

DrugBank IDDB02047 
Name(+)-2-(4-biphenyl)propionic acid
Groups experimental
Synonyms
  • (2S)-2-(4-Biphenylyl)propanoic acid
  • 2-(1,1'-biphenyl-4-yl)propanoic acid
  • (+)-2-(4-biphenyl)propionic acid
CAS number10532-14-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin G/H synthase 1MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...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 448006