General Information of Drug (ID: DR2618)
Drug Name	Glucotropaeolin
Synonyms	Glucotropaeolin; Glucotropaeolin (Benzyl-GS); Glucotropeolin; 499-26-3; AC1LCV37; C02153; beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)benzeneethanimidate)
Indication	Infectious cystitis [ICD11: GC00]				Investigative	[1]
Structure
	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		409.4	Topological Polar Surface Area		200
	Heavy Atom Count		26	Rotatable Bond Count		7
	Hydrogen Bond Donor Count		5	Hydrogen Bond Acceptor Count		11
Cross-matching ID	PubChem CID 656498 CAS Number 499-26-3 Formula C14H19NO9S2 Canonical SMILES C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O InChI 1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1 InChIKey QQGLQYQXUKHWPX-LPUQOGTASA-N

The Metabolic Roadmap of This Drug

The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF Benzyl isothiocyanate DM006508 2346 Unclear 1 [3] BITC-Cys DM006510 N. A. Unclear 2 [3] BITC-CysGly DM006511 N. A. Unclear 2 [3] BITC-GSH DM006509 N. A. Unclear 2 [3] BITC-NAC DM006512 N. A. Unclear 2 [3]

The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF MR007005 Glucotropaeolin Benzyl isothiocyanate Unclear Unclear [3] MR007006 Benzyl isothiocyanate BITC-GSH Unclear Unclear [3] MR007007 Benzyl isothiocyanate BITC-Cys Unclear Unclear [3] MR007008 Benzyl isothiocyanate BITC-CysGly Unclear Unclear [3] MR007009 Benzyl isothiocyanate BITC-NAC Unclear Unclear [3]

Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF Unclear metabolic mechanism (DME-unclear) DME1265 Escherichia coli Not Available Not Available [2] Unclear metabolic mechanism (DME-unclear) DME2047 Enterococcus casseliflavus Not Available Not Available [2] Unclear metabolic mechanism (DME-unclear) DME2049 Lactobacillus agilis Not Available Not Available [2]

References
1	The glucosinolate-myrosinase system in nasturtium (Tropaeolum majus L.): variability of biochemical parameters and screening for clones feasible for pharmaceutical utilization. J Agric Food Chem. 2008 Dec 10;56(23):11165-70.
2	Glucosinolate and desulfo-glucosinolate metabolism by a selection of human gut bacteria. Curr Microbiol. 2016 Sep;73(3):442-451.
3	Bioavailability and metabolism of benzyl glucosinolate in humans consuming Indian cress (Tropaeolum majus L.)

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