Details of the Drug

General Information of Drug (ID: DMCFEUG)

• Drug Name: CCG-208408
• Synonyms: Narirutin; Naringenin 7-rutinoside; Naringenin-7-O-rutinoside; (S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; AK554011; CCG-208408; CHEMBL3185240; NCGC00163600-01
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 580.5
  Logarithm of the Partition Coefficient (xlogp); -1.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 8
  Hydrogen Bond Acceptor Count (hbondacc); 14
• Chemical Identifiers:
  Formula: C27H32O14
  IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
  Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
  InChI: HXTFHSYLYXVTHC-UHFFFAOYSA-N
  InChIKey: 1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3
• Cross-matching ID:
  PubChem CID: 85704
  CAS Number: 14259-46-2
  INTEDE ID: DR2439

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-glucosidase (bglA) Main DME	DEUQTKA	A0A249DCH3_LACRH	Substrate	[1]

References

• [1] Catabolism of citrus flavanones by the probiotics Bifidobacterium longum and Lactobacillus rhamnosus. Eur J Nutr. 2018 Feb;57(1):231-242.