HPR

6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE

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

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count35
Aromatic Bond Count6
2D diagram of HPR
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Chemical Component Summary

Name6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE
Systematic Name (OpenEye OEToolkits)(2R,3R,4S,5R)-2-(6-hydroxy-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC10 H14 N4 O5
Molecular Weight270.242
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc3ncnc1c3NCN1C2OC(C(O)C2O)CO
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2CNc3c(O)ncnc23
SMILESOpenEye OEToolkits1.5.0c1nc2c(c(n1)O)NCN2C3C(C(C(O3)CO)O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CNc3c(O)ncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChIInChI1.03 InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03 ZWTNXGIZBOQCAJ-KQYNXXCUSA-N

Drug Info: DrugBank

DrugBank IDDB02472 
Name7,8-dihydroinosine
Groups experimental
Synonyms
  • 6-hydroxy-7,8-dihydro purine nucleoside
  • 7,8-dihydroinosine

Drug Targets

NameTarget SequencePharmacological ActionActions
Adenosine deaminaseMAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...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 6323375, 5288579, 135509108