Details of the Drug

General Information of Drug (ID: DMZF7RQ)

• 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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 285.25
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C12H15NO7
  IUPAC Name: (2S,3R,4R,5R,6S)-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol
  Canonical SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O
  InChI: YILIDCGSXCGACV-UOAXWKJLSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 3082141
  CAS Number: 18918-31-5
  INTEDE ID: DR2626

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Alpha-L-rhamnosidase (lrA) Main DME	DEBI82Z	A0A1V8Q7P3_9BIF	Substrate	[1]

References

• [1] 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.