Chemical Component Summary

Name(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
Identifiers(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC24 H27 N3 O7 S
Molecular Weight501.552
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI=1S/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1
InChIKeyJNNIZILNBMPOAC-MOXQZVSFSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count4
Bond Count64
Aromatic Bond Count13

Drug Info: DrugBank

DrugBank IDDB01834 
Name(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene
Groups experimental
Synonyms(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutathione S-transferase PMPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLY...unknown
Glutathione S-transferase Mu 1MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...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 449366