DOB

2,4-DIHYDROXYBENZOIC ACID

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of DOB

Chemical Component Summary

Name2,4-DIHYDROXYBENZOIC ACID
Systematic Name (OpenEye OEToolkits)2,4-dihydroxybenzoic acid
FormulaC7 H6 O4
Molecular Weight154.12
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1ccc(O)cc1O
SMILESCACTVS3.341OC(=O)c1ccc(O)cc1O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1O)O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1ccc(O)cc1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(cc1O)O)C(=O)O
InChIInChI1.03 InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
InChIKeyInChI1.03 UIAFKZKHHVMJGS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02839 
Name2,4-Dihydroxybenzoic Acid
Groups experimental
Synonyms2,4-Dihydroxybenzoic Acid
Categories
  • Acids, Carbocyclic
  • Benzene Derivatives
  • Benzoates
  • Hydroxy Acids
  • Phenols
CAS number89-86-1

Drug Targets

NameTarget SequencePharmacological ActionActions
p-hydroxybenzoate hydroxylaseMKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGVLEQ...unknown
p-hydroxybenzoate hydroxylaseMKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRAGVLEQ...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 1491
ChEMBL CHEMBL328910
CCDC/CSD BECWAJ, YASGAC01, NEFFEM, YUXHAC, YASGAC, FADHID, UNAYOY, QIVTUK01, EXANAT, HUHFAS01, XOGMUD, LAGSUK, GIDLUB, DINRUP01, DOPNED, OCIKOD, NEFFEM01, HUHDUK01, QIVTUK, HOWLAJ, GEQROL, YUXGUV, XUHCAH, DEYREF, UGOWIY, LATSEG01, JIFHAK, ZZZEEU08, LATSEG, IDUBUF, HONFUN, YETKEQ, DINSEA, ZZZEEU07, ZZZEEU05, ZZZEEU06, AVEJUJ, RADXED, JANZUX, QASPEJ, YECXOX, JEJHAL, QATCIB, QASNOR
COD 4500158, 4500159, 4500161, 2020286, 2020287, 7207538, 1556761, 1556767, 4508137, 4508138, 2311800, 7053274, 7053275, 7053276