HEZ

HEXANE-1,6-DIOL

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

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count21
Aromatic Bond Count0
2D diagram of HEZ
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Chemical Component Summary

NameHEXANE-1,6-DIOL
Systematic Name (OpenEye OEToolkits)hexane-1,6-diol
FormulaC6 H14 O2
Molecular Weight118.174
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCCCCCCO
SMILESCACTVS3.341OCCCCCCO
SMILESOpenEye OEToolkits1.5.0C(CCCO)CCO
Canonical SMILESCACTVS3.341 OCCCCCCO
Canonical SMILESOpenEye OEToolkits1.5.0 C(CCCO)CCO
InChIInChI1.03 InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKeyInChI1.03 XXMIOPMDWAUFGU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02210 
NameHexane-1,6-Diol
Groups experimental
SynonymsHexane-1,6-Diol
CAS number629-11-8

Drug Targets

NameTarget SequencePharmacological ActionActions
GTPase HRasMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGET...unknown
Glucocorticoid receptorMDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAV...unknown
LysozymeMNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...unknown
Holliday junction ATP-dependent DNA helicase RuvBMSEFLTPERTVYDSGVQFLRPKSLDEFIGQENVKKKLSLALEAAKMRGEV...unknown
Phospholipase A2MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCY...unknown
View More
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 12374
ChEMBL CHEMBL458616
ChEBI CHEBI:43078
CCDC/CSD SARJUQ, OTIYUM01, FECCOF01, OTIYUM, FECCOF
COD 7052662