CAQ

CATECHOL

Created: 1999-12-14
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count14
Aromatic Bond Count6
2D diagram of CAQ
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Chemical Component Summary

NameCATECHOL
Synonyms1,2-DIHYDROXYBENZENE
Systematic Name (OpenEye OEToolkits)benzene-1,2-diol
FormulaC6 H6 O2
Molecular Weight110.111
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc1ccccc1O
SMILESCACTVS3.341Oc1ccccc1O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)O)O
Canonical SMILESCACTVS3.341 Oc1ccccc1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)O)O
InChIInChI1.03 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKeyInChI1.03 YCIMNLLNPGFGHC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02232 
Name1,2-Dihydroxybenzene
Groups experimental
Synonyms1,2-Dihydroxybenzene
Categories
  • Benzene Derivatives
  • Phenols
CAS number120-80-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Catechol 1,2-dioxygenaseMEVKIFNTQDVQDFLRVASGLEQEGGNPRVKQIIHRVLSDLYKAIEDLNI...unknown
Biphenyl-2,3-diol 1,2-dioxygenaseMSIRSLGYMGFAVSDVAAWRSFLTQKLGLMEAGTTDNGDLFRIDSRAWRI...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 289
ChEMBL CHEMBL280998
ChEBI CHEBI:18135
CCDC/CSD COSGIB, CATCOL15, FIBMUY, TEBJIW, LIRKAY, CATCOL17, PEPBES, FIBMIM, FIBMOS, CATCOL14, CATCOL13, CATCOL12, EDAZAN, DEWFUG, GIYJED, PUVNID, AJEMAE, NEZMAG, FORLAB, RUWFIZ, CISCEM, IXAHEU, MOMVUG, ILOZIT, CATCOL16, PMCRHC, IHAWIY, DEWFOA, EPAVUN, JUMVEU, CERXIH, OGIYEK, FORLIJ, AZEFIW, CATCOL01, CISCIQ, KIJMOH, APEHEK, LODMOI, QOLNOW, QOBGOG, FAKSAO, NORTAS, CATXMO, RACHUC, FUHHEW, LAGVAU, EZEDEV