Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2626)
Drug Name
PNA-l-rhamnopyranoside
Synonyms
P-nitrophenyl-alpha-l-rhamnopyranoside; p-nitrophenyl-alpha-l-rhamnoside; pNP-alpha-L-rhamnoside; (2S,3R,4R,5R,6S)-2-Methyl-6-(4-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol; (2S,3R,4R,5R,6S)-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol; 18918-31-5; 3-Nitrophenyl a-L-rhamnopyranoside; 4-Nitrophenyl a-L-rhamnopyranoside; 4-Nitrophenyl alpha-L-rhamnopyranoside; 4-Nitrophenyl-alpha-L-rhamnoside; 4-Nitrophenylrhamnoside; alpha-L-Mannopyranoside, 4-nitrophenyl 6-deoxy-; p-NITROPHENYL alpha-L-RHAMNOPYRANOSIDE; SCHEMBL2296345; para-Nitrophenyl-alpha-L-rhamnoside
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 285.25 Topological Polar Surface Area 125
Heavy Atom Count 20 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
3082141
CAS Number
18918-31-5
Formula
C12H15NO7
Canonical SMILES
CC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O
InChI
1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1
InChIKey
YILIDCGSXCGACV-UOAXWKJLSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
p-nitrophenol DM004005
980
Hydrolysis - Glycoside hydrolysis 1 Human
PNA-l-rhamnopyranoside M1 PDM007639
840
Hydrolysis - Glycoside hydrolysis 1 Human
PNA-l-rhamnopyranoside M3 PDM007640 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
PNA-l-rhamnopyranoside M4 PDM007641 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
PNA-l-rhamnopyranoside M5 PDM007642 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alpha-L-rhamnosidase (lrA) DME1201 Bifidobacterium dentium
A0A1V8Q7P3_9BIF
3.2.1.40
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Alpha-L-rhamnosidase (lrA) DME1201 Km = 1060 microM
A0A1V8Q7P3_9BIF
[2]
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 3082141)
2 Metabolism of rutin and poncirin by human intestinal microbiota and cloning of their metabolizing alpha-L-rhamnosidase from Bifidobacterium dentium. J Microbiol Biotechnol. 2015 Jan;25(1):18-25.

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