BP7

1,1'-BIPHENYL-3,4-DIOL

Created: 2005-12-14
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count13
2D diagram of BP7
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Chemical Component Summary

Name1,1'-BIPHENYL-3,4-DIOL
Synonyms3,4-DIHYDROXYBIPHENYL
Systematic Name (OpenEye OEToolkits)4-phenylbenzene-1,2-diol
FormulaC12 H10 O2
Molecular Weight186.207
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc2ccc(c1ccccc1)cc2O
SMILESCACTVS3.341Oc1ccc(cc1O)c2ccccc2
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2ccc(c(c2)O)O
Canonical SMILESCACTVS3.341 Oc1ccc(cc1O)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)c2ccc(c(c2)O)O
InChIInChI1.03 InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H
InChIKeyInChI1.03 QDNPCYCBQFHNJC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07478 
Name3,4-Biphenyldiol
Groups experimental
Synonyms
  • 4-Phenyl-1,2-benzenediol
  • 4-Phenylcatechol
  • 3,4-Biphenyldiol
  • Biphenyl-3,4-diol
  • 4-Phenylpyrocatechol
CAS number92-05-7

Drug Targets

NameTarget SequencePharmacological ActionActions
1,2-dihydroxynaphthalene dioxygenaseMSKQAAVIELGYMGISVKDPDAWKSFATDMLGLQVLDEGEKDRFYLRMDY...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 7075
ChEMBL CHEMBL475398